vision contents

EXECUTIVE SUMMARY 2

RESEARCH PROGRAM OVERVIEW 4

RESEARCH HIGHLIGHTS 7

Awards...... 9

MANAGEMENT & MEMBERSHIP 13

Proposed Structure and Governance...... 13 Members...... 14

PUBLICATIONS 22

Refereed Journals...... 22 Refereed Conference Proceedings...... 30 Books and Chapters...... 32 Student Theses...... 32 Intellectual Property...... 33 Invited Presentations at Workshops/Conferences...... 34

LINKAGE 38

Collaborations...... 38 Visitors...... 40

GRADUATE COURSES 41

SERVICES AND OUTREACH 43

Conferences/Workshops...... 43 Professional Services...... 43 Public Lecture...... 45 Outreach Lectures...... 45 Media Coverage...... 46

TRAINEE DESTINATIONS 49

RESEARCH GRANTS 50

OBJECTIVES FOR NEXT YEAR 51 EXECUTIVE SUMMARY

Alberta has presciently invested in quantum science has 36 professors and their groups plus industrial and technology from the early days when the field’s and government laboratory personnel working on benefits were mere speculation. Now quantum quantum science and technology. The five themes of science and technology is a huge endeavour the initiative are and multi-scale worldwide, with billions of dollars invested by modelling, and quantum governments, hundreds of millions of dollars recently gravity, quantum materials, quantum nanoscience investment by Canadian federal agencies, and and technology, and and quantum recruitment of talent by numerous universities. At this information. critical stage of quantum science and technology Quantum Alberta is an integral part of the Canadian maturing from curiosity-driven foundational research quantum mosaic. In the past year, three Canada First to strategic knowledge-transfer activities, Alberta Research Excellence Fund (CFREF) $75m awards is well poised to take a leadership role, especially were made in the quantum area: to l’Université building from its computer science, quantum de Sherbrooke, the University of Waterloo and information, nanoscience, quantum materials and the University of British Columbia. The absence quantum optics roots at the Universities of Alberta, of Alberta from this distinguished list reflects the Calgary and Lethbridge. Furthermore, Alberta has strength of other areas of research in Alberta - a quantum strengths at CanmetENERGY and the CFREF award for unconventional hydrocarbon National Institute for plus companies resources at the University of Calgary and a CFREF such as Norcada, Resolved Instruments, FireWater award for future energy systems at the University Fuel and Quantum Silicon. of Alberta - and not any limitations of Alberta’s Quantum Alberta embodies quantum activities in the quantum strengths. Notably some Quantum Alberta province: the Quantum Alberta initiative is a vehicle researchers are included in both of these Alberta that provides voice to the community of science CFREF awards, but the award of three quantum researchers and technologies and a voice to the CFREF awards all outside of Alberta highlights stakeholders in the quantum science and technology the importance of Quantum Alberta as a means investment. Organizationally, Quantum Alberta to nurture networking between Alberta’s quantum emerges from the AITF-funded Institute for Quantum researchers and industry and provide a face and a Science and Technology at the University of Calgary; voice by this community to Canada and to the world. this Institute hosts 14 research groups with a total Without Quantum Alberta, Alberta’s formidable of around 100 professors and research staff and quantum strengths could be lost in the noise. students. The much larger Quantum Alberta initiative

2 QUANTUM ALBERTA The success of Quantum Alberta depends on financial support for its operation, which has historically come from Alberta Innovates Technology Futures and the Universities of Alberta, Calgary and Lethbridge. The operation is modest at this ramping- up stage: one full-time administrator, contractual support for web pages and reports, an annual workshop, and seed funding for cross-provincial collaboration between quantum researchers. The hope for Quantum Alberta is, first, successful networking by Quantum Alberta researchers and industry to create the foundation for great quantum strengths in the province and, second, to leverage this success into a strong collaborative entity nurturing great quantum science and knowledge translation for the benefit of all Albertans.

2016/2017 ANNUAL REPORT 3 RESEARCH PROGRAM OVERVIEW

Quantum Alberta is an initiative undertaken by centres, and fostering nascent quantum companies quantum scientists at the Universities of Alberta, in Alberta and partnerships with companies outside Calgary and Lethbridge, plus research scientists Alberta. Quantum Alberta provides an organizational and entrepreneurs at government laboratories and structure for Alberta to achieve and maintain global in industry, with the purpose of collaborating to prominence in quantum science and technology. (i) nurture and showcase Alberta-based quantum The organization is a network of academic and research, development and activities, (ii) encourage industry experts who have joined together to elevate and support industrial, national, and international quantum science research, development and partnerships and collaborations, (iii) foster linkage commercialization in Alberta. Quantum Alberta’s between Alberta’s institutions of higher learning, vision is to elevate quantum science and technology public laboratories and facilities, and cognate in Alberta by empowering research, commercializing businesses, (iv) provide seed funding for rapid technology, and educating our future generations. exploitation of extraordinary opportunities in The mission is to be the catalyst for advancement quantum research and development, (v) develop and commercialization of Alberta-based quantum pan-provincial educational and training programs research in Canada and around the world. in quantum science, and (vi) provide product and Quantum Alberta has five research themes. business development support to new startups and These are (a) quantum chemistry and multi-scale existing Alberta ventures. Quantum Alberta operates modelling led by Alex Brown (UAlberta), (b) quantum as an interinstitutional team effort with administrative foundations and led by Saurya Das support that is based at the University of Calgary, (ULethbridge), (c) quantum materials led by Joseph and Quantum Alberta maintains web pages Maciejko (UAlberta), (d) quantum nanoscience and www.quantumalberta.ca and creates promotional technology led by Paul Barclay (UCalgary) and (e) materials, provincial workshops, interinstitutional quantum optics and led by research and development collaborations, and joint Christoph Simon (UCalgary). These themes foster promotional activities. opportunities to interconnect Quantum Alberta Quantum Alberta will nurture collaboration between researchers and technologists who have common universities in Alberta, linkage between Quantum interests and complementary skills and infrastructure Alberta and external quantum institutes and to build new initiatives.

4 QUANTUM ALBERTA QUANTUM CHEMISTRY & MULTI-SCALE MODELLING QUANTUM QUANTUM OPTICS & FOUNDATIONS QUANTUM & QUANTUM INFORMATION GRAVITY QUANTUM ALBERTA

QUANTUM QUANTUM NANOSCIENCE & MATERIALS TECHNOLOGY

In the past year, Quantum Alberta ran a competition fostering provincial-level collaborative research for funded proposals in each of the themes. Six in quantum Chemistry. Also in Theme (a), the proposals for synthesizing research efforts across proposal “Quantum cascade laser spectroscopy Alberta were submitted and all were selected for of greenhouse gases” was submitted by funding. Due to the small amount of funding granted Nasser Moazzen-Ahmadi and Kirk Michaelian. for the year, only $5000 is granted to each of the The project aims to develop next-generation six theme projects. The funding for the projects are greenhouse-gas detection methodologies based simply indicative of support and endorsement by on the use of quantum cascade lasers and Quantum Alberta and meant to seed collaborative optical parametric oscillators. Complementary efforts by quantum researchers in the province. methods, including conventional Raman and The six theme projects are detailed below. Surface Enhanced Raman Spectroscopy (SERS), will be investigated with regard to their capability ƒƒ In theme (a) quantum chemistry and multi-scale for gas detection. This collaboration is between modelling, the proposal “Nanocomposite the University of Calgary and CanmetENERGY- materials for efficient photon-to-fuel conversion”, Devon, Natural Resources Canada and proposed by Simon Trudel, Jillian Buriak and addresses an important environmental issue. Jonathan Veinot, has the twin objectives of integrating efficient amorphous water-splitting ƒƒ With respect to theme (b) quantum foundations electrocatalysts with nanoscaled light absorbers. and quantum gravity, the proposal “Quantum They seek to quantify the external in the brain and the physics of efficiency of converting photons to hydrogen consciousness” was submitted by Christoph and identify which absorber/catalyst architecture Simon, Jack Tuszynski and Saurya Das. An is the most efficient. Through the development objective is to determine whether biophoton of nanoscale clean-energy storage systems, sources and receivers exist in the brain suitable this project will advance both nanomaterials for generating entanglement over distances and manufacturing capacity in Alberta and for timescales relevant for conscious experience. diversification of the Albertan energy sector. This ƒƒ Topological states with ultracold atomic gases project represents how Quantum Alberta can is being studied under theme (c) quantum enable the clean-energy transition proposed by materials by a team comprising Lindsay LeBlanc, the Alberta Climate Leadership Plan, improve David Feder, Joseph Maciejko and Frank environmental stewardship, and stimulate Marsiglio. This team is a theory-experiment cutting-edge nanotechnology development by collaboration for realizing symmetry-protected

2016/2017 ANNUAL REPORT 5 topological phases. The project is poised to both generate advances in fundamental science and contribute to the eventual development of a quantum computer. ƒƒ In the theme (d) quantum nanoscience and technology, Lindsay LeBlanc and Paul Barclay are pursuing the project “Nanophotonic devices for interfacing telecom photons with cold atoms”, and the aim of this project is to use nanophotonic devices to address cold atoms by signals encoded on light at telecommunication wavelengths. The NanoFab facilities at the University of Alberta are a key part of this endeavour. ƒƒ John Davis and Alex Lvovsky proposed state tomography of quantum optomechanical systems in theme (e) quantum optics and quantum information. The objective is to characterize fully the of a nanomechanical oscillator by transferring it into the quantum state of a travelling electromagnetic field and subsequently measuring this field by means of optical homodyne tomography. This approach is a part of hybridizing quantum technologies and furthers the ambitions of Quantum Alberta by addressing a core problem and developing a valuable technology that will be of wide appeal.

6 QUANTUM ALBERTA RESEARCH HIGHLIGHTS

Quantum Alberta members have made significant of Mathematical Physics. This work extends the achievements in the past year. The following notion that, for simple Lie algebras, elementary and exposition of achievements provides a sample of universal formulas determine the decomposition of the kinds of activities and breakthroughs seen within a tensor product of an integrable highest-weight Quantum Alberta. representation with the adjoint representation. They Veinot and Meldrum are co-inventors of a method employ the refined affine depth rule to prove that for depositing silicon nanocrystals in hollow fibres, equally striking results apply to adjoint affine fusion. which was published as a US patent in 2016. Their Buriak co-invented a technique for synthesizing small method includes inserting a hollow glass fiber into molecules and oligomers with high conductivity and a solution of hydrogen silsesquioxane, removing absorption for optoelectronic application. Multiple the solvent and heating the hollow glass fiber to a electron rich cores can be linked together through temperature suitable to form silicon nanocrystals, and one or more alkynyl linkages and serve as organic subsequently cooling the hollow glass fiber. Another photovoltaic materials. Buriak is also a member of significant, practical result from Veinot’s group the new University of Alberta Future Energy Systems has been their application of engineered silicon Institute, supported by the Canada First Research nanoparticles in light-induced advanced oxidation Excellence Fund. remediation of a water-borne model contaminant. Noskov is a co-author of two significant papers This work, published in ACS Nano, employs appearing in the Proceedings of the National photocatalysts to capture and degrade methanol as Academy of Sciences of the United States of an example of an organic contaminant. America. One of his two papers concerns aspects Thompson is a member of the international of tubulin for biomimetic mitochondrial membranes. ALPHA (Antihydrogen Laser PHysics Apparatus) Tubulin is a component in regulation of membrane collaboration based at CERN, which is the European permeability, and they study peripheral binding Organization for Nuclear Research. ALPHA creates of tubulin to biomimetic membranes of different trapped antihydrogen atoms and performs precise lipid compositions. The other discovery proposes comparison with hydrogen to study symmetries a molecular mechanism of zinc-ion inhibition of a between matter and antimatter. This past year ALPHA voltage-gated proton channel with implications for reported, in Nature, the first observation of a spectral future drug development. line in antihydrogen. Marsiglio’s group has performed tight-binding Walton studied affine fusion with the adjoint calculations for high-temperature superconductivity representation, which was published in the Journal in H3S and thereby discovered a large peak in the

2016/2017 ANNUAL REPORT 7 electron density of states. This result, published in article indicates chemical-bond contrast in atomic- Physical Review B, provides a plausible explanation force microscopy images, and the other article shows for the high critical temperature. time-resolved single-dopant charge dynamics in A collaboration between the groups of Tittel and silicon. The first result helps to resolve a controversy Simon yielded a proof-of-principle demonstration of concerning the origin of bond-resolved atomic-force non-destructive detection of photonic qubits using a microscopy and the second result enables detection of a signal field that would be too weak to detect Tm:LiNbO3 waveguide. This Nature Communications Paper suggests a new key component of quantum otherwise. photonics based on rare-earth-ion-doped crystals. Gour co-authored an article, recognized as an In an Optica paper, Simon and Lvovsky proposed Editors’ Suggestion, in . and demonstrated super-resolution imaging with They critically examined physical consistency of linear optics and homodyne detection without any quantum- resource theories. Sanders need for nonlinear optics or near-field imaging. was a co-author of a Physical Review Letters article Lvovsky’s group also implemented a method for as well: this article proposes an optical scheme, “breeding” the Schrödinger cat state, which is employing optical parametric down-converters a superposition of two coherent light waves with interlaced with nonlinear sign gates, that completely opposite amplitudes. The group produce large converts a pump field in a photon-number state to an amplitude cat state from two small-amplitude cat equal number of signal-idler photon pairs. The proof states, which is described in their Nature Photonics relies on amplitude amplification, analogous to that article. employed in Grover search. LeBlanc’s group has observed Bose-condensation In a Proceedings of the National Academy of (BEC) in gases of 87Rb atoms and can reliably Sciences of the United States of America paper, produce these gases down to about 40 nK. This is Kusalik and coworkers obtained evidence from the first BEC produced in Canada’s prairie provinces mixed-hydrate nucleation for a funnel model of and marks the culmination of two years of lab set-up, crystallization. Importantly, they show that the allowing us to proceed with experiments in many- phenomenological similarities between crystallization body quantum physics. and protein folding result from similarities between features of these microscopic ordering processes. In Wolkow’s group wrote two Nature Communications another work co-authored by Kusalik and published articles in the past year, both concerning properties in ACS Nano, they provide molecular-level insights of the hydrogen-terminated silicon surface. One into self-assembly in metal–organic frameworks.

8 QUANTUM ALBERTA Their molecular-dynamics simulations elucidate the early stages of the self-assembly mechanism for an AWARDS important class of nanoporous materials. INTERNATIONAL AWARDS Davis and his group enhanced the sensitivity of a mechanical torque sensor as reported in Nature Communications. Their method incorporates cold Burghausen Chemistry Award (DiChem 2016 cavity optomechanics, which co-localizes an – International Scientific Symposium) optical and a mechanical resonance, which leads Jillian Buriak to sensitivity only a factor of ten above the quantum Jonathan Veinot limit. Davis and two of his students have founded a company called Resolved Instruments. CONACYT Scholarship These scientific achievements are significant to Jesus Alejandro Marin Calzada quantum science and published in top journals. Quantum Alberta is fortunate to have these Imperial College of London Doctor of Science scientists on board, and these achievements are Barry C. Sanders not a complete list for Quantum Alberta but rather a representative sample of the activities and quality seen in Quantum Alberta research. The Chinese University of Hongkong’s Global Scholarship Program for Research Excellence Christopher Fetterly

2016/2017 ANNUAL REPORT 9 NATIONAL AWARDS NSERC Postdoctoral Fellowship Hoan Bui Dang MITACS Globalink NSERC USRA Arun Rajendran Sam Anderson Rishabh Shukla Bipinmeet Chawla Xinxin Tang David Gisu Ham Graham Hornig NSERC Alexander Graham Bell Canada Aiden Huffman Graduate Scholarship – Doctoral Christian Prosko Roshan Achal Scott Wilson Callum Doolin Tong Zhang Bradley D. Hauer Joel Hutchinson NSERC Vanier Scholarship David Lake Carlos Enriquez-Victorero Matthew Mitchell Clinton Potts Hao Wang PIMS Postdoctoral Fellowship Mehdi Ahmadi NSERC Alexander Graham Bell Canada Hoan Bui Dang Graduate Scholarship – Master’s Clinton Potts (ended December 2016) Matthew Robbins Stephen Wein

NSERC Postgraduate Scholarship – Doctoral Vedran Jelic Peter Nguyen Hugh Ramp Elijah Schnitzle

10 QUANTUM ALBERTA PROVINCIAL AWARDS UNIVERSITY OF ALBERTA AWARDS

Alberta Innovates Graduate Students Andrew Stewart Memorial Graduate Prize Scholarship Bradely D. Hauer Carl Chandler Callum Doolin Dorothy J. Killam Memorial Graduate Prize Bradley D. Hauer Bradely D. Hauer Chris Healey Muhammad Amirul Islam Faculty of Science Graduate Student Sourabh Kumar David Lake Mentoring Award Hon-Wai Lau Al Meldrum Thomas Lutz Tamiko Masuda Interdepartmental Science Students’ Society William Miranda Teaching Award Mary Narreto Al Meldrum Peter Nguyen Hugh Ramp Regina Sinelnikov Izaak Walton Killam Memorial Scholarship Stephen Wein Bradley D. Hauer Parisa Zarkeshian Petro-Canada Young Innovator Award Arthur Bollo-Kamara Graduate Scholarship John P. Davis Ebenezer Owusu-Ansah

2016/2017 ANNUAL REPORT 11 UNIVERSITY OF CALGARY AWARDS Eyes High Doctoral Recruitment Scholarship Andrew Evans Alberta Innovates Technology Futures (AITF)/ Sourabh Kumar Eyes High Postdoctoral Fellowship Yasser Novo-Fernandez Gabriel Aguilar (ended November 2016) Izaak Walton Killam Pre-Doctoral Scholarship Ronnie Banerjee John Patrick Hadden Mark Girard Nikolai Lauk Florian Senn Killam Annual Professor Namrata Shukla Barry C. Sanders Hristina Zhekova Queen Elizabeth II Graduate Scholarship Chancellor’s Graduate Medal Aaron Barclay Neil Sinclair Alex Cameron Keenan Fanning Department of Mathematics and Statistics Eric Hamidreza Kaviani Milner Prize Taozhe Wu Mark Girard Silver Anniversary Graduate Fellowship Department of Physics and Astronomy Internal Kyle Hall Marcelo Wu Award Abdullah Khalid The Student Union 2017 First and Second Year Pantita Palittapongarnpim Shakib Vedaie Dinner Teaching Excellence Award Yadong Wu Gilad Gour

12 QUANTUM ALBERTA MANAGEMENT & MEMBERSHIP

PROPOSED STRUCTURE AND GOVERNANCE Daily operation of Quantum Alberta shall be led by A Scientific Advisory Committee shall be established the Executive Director, who reports to the Board of and report directly to the Board of Directors. Each Directors. The Executive Director is assisted by the academic institute shall establish a branch and have its Executive Committee and by the Theme Leaders own Branch Directors and administration, as appropriate. who are individually responsible for each of the Quantum Alberta’s Board of Directors shall have Quantum Alberta research-and-development themes. representatives from academia, industry, The Executive Director works with the Finance and business and government from within and outside Business Advisory Committee. Alberta. The board shall have a minimum of 10 members.

QUANTUM ALBERTA BOARD OF DIRECTORS

FINANCE SCIENTIFIC AND EXECUTIVE ADVISORY BUSINESS DIRECTOR COMMITTEE ADVISORY BRANCH DIRECTORS

EXECUTIVE THEME COMMITTEE LEADERS

OPERATION AND ADMINISTRATION BRANCH COMMERCIALIZATION ADMINISTRATION AND BUSINESS DEVELOPMENT

PLANNED ORGANIZATIONAL CHART

2016/2017 ANNUAL REPORT 13 EXECUTIVE COMMITTEE MEMBERS Paul Barclay FACULTY MEMBERS Department of Physics and Astronomy, University of Calgary Dr. Paul Barclay Alex Brown Associate Professor, Physics & Astronomy, Department of Chemistry, University of Alberta University of Calgary Research: Quantum Nanophotonics Theme: QNano and QOptics Saurya Das barclaylab.ucalgary.ca Department of Physics and Astronomy, University of Lethbridge

John P. Davis Dr. John Beamish Department of Physics, University of Alberta Professor, Physics, University of Alberta Research: Low-temperature Quantum Fluids and Solids Hooman Hosseinkhannazer Theme: QMaterials Director of Business Development, Norcada www.ualberta.ca/physics/Faculty/JohnBeamish

Lindsay LeBlanc Department of Physics, University of Alberta Dr. Robert Benkoczi Associate Professor, Mathematics & Computer Science, University of Lethbridge Barry C. Sanders Research: Optimization of Wireless Networks, Department of Physics and Astronomy, University of Approximation Algorithms, Facility Location and Calgary Quantum Algorithms Theme: QFoundations www.cs.uleth.ca/~benkoczi/wordpress/

Dr. Alex Brown Professor, Chemistry, University of Alberta Research: Laser-molecule Interactions Theme: QChem alexbrown.chem.ualberta.ca

Dr. Jillian Buriak Canada Research Chair, AITF Industry Chair and Professor, Chemistry, University of Alberta Research: Nanoscience and Materials Chemistry Theme: QMaterials and QNano buriak.chem.ualberta.ca

Dr. Saurya Das Professor, Physics & Astronomy, University of Lethbridge Research: Quantum Gravity and Cosmology Theme: QFoundations directory.uleth.ca/users/saurya.das

14 QUANTUM ALBERTA Dr. John P. Davis Dr. Frank Hegmann AITF iCORE Strategic Chair and Associate AITF Strategic Chair in Terahertz Science and Professor, Physics, University of Alberta Technology and Professor, Physics, University of Research: Quantum Nanoscale Systems Alberta Theme: QNano Research: Ultrafast Dynamics and Terahertz ualberta.ca/~jdavis/ Spectroscopy Theme: QMaterials and QNano Dr. Ray DeCorby hegmannthz.wordpress.com Professor, Electrical & Computer Engineering, University of Alberta Dr. Shahadat Hossain Research: Design and Fabrication of Professor, Mathematics & Computer Science, Microphotonic Devices University of Lethbridge Theme: QNano and QOptics Research: Numerical Optimization and Its www.ece.ualberta.ca/~decorby/ Applications Theme: QOptics Dr. David Feder www.cs.uleth.ca/~hossain/ Associate Professor, Physics and Astronomy, University of Calgary Research: Practical Quantum Computation to Mr. Hooman Hosseinkhannazer Reasearch: Quantum Computation and PEng & PMP Condensed Matter Physics Director of Business Development, Norcada Theme: QOptics Research: Development of Quantum-Nano phas.ucalgary.ca/profiles/david-feder Applications (high-Q mechanical structures, NEMS) Theme: QMaterials and QNano Dr. Mark Freeman norcada.com Canada Research Chair and Professor, Physics, University of Alberta Research: Nanoscale Magnetic Phenomena Dr. Peter Høyer Theme: QMaterials and QNano Associate Professor, Computer Science, www.ualberta.ca/~freemanm/ University of Calgary Research: Theme: QFoundations and QOptics pages.cpsc.ucalgary.ca/~hoyer/ Dr. Daya Gaur Professor, Mathematics & Computer Science, University of Lethbridge Research: Approximation Algorithms for Dr. Wolfgang Jäger Optimization Problems Canada Research Chair and Professor, Chemistry, Theme: QOptics University of Alberta www.cs.uleth.ca/~gaur/ Research: Nanodrop and Molecular Cluster Spectroscopy Theme: QChem and QNano Dr. Gilad Gour www.chem.ualberta.ca/~jaeger/ Professor, Mathematics & Statistics, University of Calgary Research: Quantum Information Theory Dr. Peter Kusalik Theme: QOptics Professor, Chemistry, University of Calgary people.ucalgary.ca/~gour/ Research: Molecular Simulation Theme: QChem and QMaterials homepages.ucalgary.ca/~pkusalik/

2016/2017 ANNUAL REPORT 15 Dr. Lindsay LeBlanc Dr. Nasser Moazzen-Ahmadi Canada Research Chair, AITF Strategic Chair Professor, Physics & Astronomy, University of and Assistant Professor, Physics, University of Calgary Alberta Research: Molecular Spectroscopy Research: Quantum Simulation with Ultracold Theme: QChem and QMaterials Gases and Hybrid Quantum Systems iqst.ca/people/peoplepage.php?id=345 Theme: QMaterials, QNano and QOptics sites.ualberta.ca/~ljleblan/ Dr. Sergei Noskov Dr. Alex Lvovsky Professor, Biological Science, University of Professor, Physics & Astronomy, University of Calgary Calgary Research: Biochemistry and Structural Biology Research: Quantum Information Technology Theme: QChem Theme: QOptics contacts.ucalgary.ca/info/bio/profiles/124-2251 people.ucalgary.ca/~lvov/

Dr. Dennis Salahub Dr. Joseph Maciejko Professor, Chemistry, Univesity of Calgary Canada Research Chair and Assistant Professor, Research: Multiscale Modelling of Chemistry in Physics, University of Alberta Complex Environments Research: Topological Materials Theme: QChem and QNano Theme: QMaterials iqst.ca/people/peoplepage.php?id=267 ualberta.ca/~maciejko/

Dr. Frank Marsiglio Dr. Barry Sanders Professor, Physics, University of Alberta AITF iCORE Strategic Chair in Quantum Research: High-temperature Superconductivity Information Science and Professor, Physics and and Strongly Correlated Electron Systems Astronomy, University of Calgary Theme: QMaterials QianRen Chair Professor, University of Science sites.ualberta.ca/~fm3/ and Technology of China Research: Quantum Information Science Theme: QOptics Dr. Al Meldrum iqst.ca/people/peoplepage.php?id=4 Professor, Physics, University of Alberta Research: Quantum Dots, Microlasers and Dr. Yujun Shi Sensors Associate Professor, Chemistry, University of Theme: QMaterials Calgary sites.ualberta.ca/~ameldrum/Home.html Research: Diagnostics of Chemical Vapour Deposition, Metal Nanoparticle Formation by Laser Dewetting Dr. Kirk Michaelian Theme: QChem and QNano ucalgary.ca/shiy/ Research Scientist, Natural Resources Canada Research: Raman and Photoacoustic Infrared Spectroscopy Dr. Christoph Simon Theme: QChem and QMaterials Professor, Physics and Astronomy, University of nrcan.gc.ca/science/scientists/11694 Calgary Research: Theoretical Quantum Optics Theme: QFoundations, QNano and QOptics iqst.ca/people/peoplepage.php?id=225

16 QUANTUM ALBERTA Dr. Robert I. Thompson Dr. Robert Wolkow Professor, Physics and Astronomy, University of AITF Strategic Chair and Professor, Physics, Calgary University of Alberta Research: Trapped Ions and Antimatter Chief Technical Officer, Quantum Silicon Inc. Theme: QChem, QFoundations and QOptics Research: Low-power Atom-scale Electronics iqst.ca/people/peoplepage.php?id=15 Theme: QMaterials, QNano and QOptics www.robertwolkow.com

Dr. Wolfgang Tittel Dr. Yunjie Xu AITF Strategic Research Chair and Professor, Canada Research Chair and Professor, Chemistry, Physics and Astronomy, University of Calgary University of Alberta Research: and Research: Molecular Chirality Communication Theme: QChem Theme: QNano and QOptics www.chem.ualberta.ca/~xu/ www.qc2lab.com

Dr. Simon Trudel Associate Professor, Chemistry, University of Calgary Research: Functional Nanomaterials Theme: QNano www.chem.ucalgary.ca/research/groups/trudels/ simon-trudel.html

Dr. Jack Tuszynski Professor, Oncology, University of Alberta Research: Computational Drug Design, Systems Biology of Cancer and Neurodegenerative Diseases, and Pharmacokinetic Models Theme: QFoundations www.oncology.med.ualberta.ca/AboutUs/ FacultyMembers/Pages/ExperimentalOncology. aspx?P=13

Dr. Jonathan Veinot Professor, Chemistry, University of Alberta Research: Nanomaterials and Hybrid Nanostructures Theme: QChem and QNano www.chem.ualberta.ca/~jveinot/

Dr. Mark Walton Professor, Physics & Astronomy, University of Lethbridge Research: and Conformal Field Theory Theme: QFoundations directory.uleth.ca/users/walton

2016/2017 ANNUAL REPORT 17 POSTDOCTORAL FELLOWS Qiang Zhou (completed March 2017 A Assistant Professor, University of Electronic Science and Gabriel Aguilar (resigned November 2016 Technology) A Assistant Professor, Federal University of Rio de Janeiro) RESEARCH ENGINEERS & RESEARCH Mehdi Ahmadi Morteza Amirani ASSISTANTS Ronnie Banerjee Naaman Amer Rhett Clark (completed in 2016 A Instructor/Lab Seyed Azmayesh-Fard Coordinator, Concordia University, Edmonton) Martin Cloutier Pablo Diaz Benito Thomas Dienel Hoan Bui Dang Tate Hauger Prasanta Das Peter Kalisvaart Angélique Faramus Volodimir Kiselyov (resigned September 2016) Roohollah Ghobadi Mohammad Koleini Sandeep Goyal (completed May 2016 A Assistant Erik Luber Professor, Indian Institute for Science Education and Daniel Oblak Research, Mohal) Brian Olsen John Patrick Hadden Jo Onoda Matthias Heger Jason Pitters Moloud Kaviani Mojtaba Rezaei Nikolai Lauk Mark Salomons Shu-Ping Lee Radovan Urban Chien-Hung Lin Philip Winter Bruno Martins Hosnay Mobarok (completed in 2016 A Research Manager, Applied Quantum Materials) GRADUATE STUDENTS Van Ngo (PhD PROGRAM) Isil Ozfidan (completed July 2016A Researcher, Roshan Achal D-Wave Systems) Maryam Aghajamali Young Choon Park Saana Al-Sumadie Laura Perissinotti Mahmoud Almadhoun Moe Rashidi Mohsen Bagheri Mehrab Erhan Saglamyurek Angela Beltaos Kuburat Saliu Tushar S. Biswas Elijah Schnitzler Mohammad Bitarafan Nathaniel Seifert Isaac Boateng Florian Senn (completed October 2016) Pasquale Bosso Namrata Shukla Stephanie Bovincini Mauricio Chagas da Silva (completed October 2016) Jesus Alejandro Marin Calzada Yusuf Simsek Bing Cao (graduated September 2016 A Neil Sinclair Postdoctoral Fellow, University of Alberta) Chukman So Carl Chandler (graduated November 2016) Fabien Souris Ram Dahal Javix Thomas Archismita Dalal Rim Toukabri (completed September 2016) Katelynn Daly Lucile Veissier (resigned June 2016 A Postdoctoral Raphael Dong Fellow, Universite Paris Sud Orsay) Callum Doolin Tianwu Wang Carlos Enriquez-Victorero Binbin Yu Andrew Evans Ehsan Zahedinejad (resigned August 2016 A Mohsen Falamarzi Askarani Researcher, 1Qbit) Akihiko Fujii Hristina Zhekova

18 QUANTUM ALBERTA Jiao Gao Mahshad Moshari Kirsty Gardner Yasser Novo-Fernandez Melis Gedik Varun Narasimhachar (graduated August 2016 A Francesco Gentile Postdoctoral Fellow, National University of Singapore) Peter Ghaly Mary Narreto Gayashani Ginige Peter Nguyen Mark Girard Mahmood Noweir Christina Gonzalez (graduated September 2016 A Sara Omar Contract Instructor, Concordia University, Edmonton) Ebenezer Owusu-Ansah Sumit Goswami Eduardo Paez Lida Hadidi (graduated September 2016 A Research Pantita Palittapongarnpim Assistant, Applied Quantum Materials Inc.) Alireza Poostindouz Kyle Hall Clinton Potts Bradley D. Hauer Marcel.li Grimau Puigibert Chris Healey David Purschke Mark Healey (graduated 2016 A Researcher, Anastasia Pushkina Government of Alberta) Hugh Ramp Cameron Hough Chengcheng Rao Minjia Hu Christopher Jay Robidillo Taleana Huff Mohammad Alaraby Salem (graduated August 2016 Joel Hutchinson A Lecturer, University of Modern Sciences and Arts, Muhammad Amirul Islam Egypt) Subha Jana Nafiseh Sang-Nourpour Morteza Javadi Elijah Schnitzler (graduated June 2016 A Vedran Jelic Postdoctoral Fellow, University of Alberta) Cong Jin Issaka Seidu (graduated February 2017 A Hamidreza Kaviani Postdoctoral Fellow, Carleton University) Abdullah Khalid Neil Sinclair (graduated May 2016 A Postdoctoral Behzad Khanaliloo (graduated December 2016 A Fellow, University of Calgary) Engineer, Lumerical Inc.) Regina Sinelnikov Mohammadsadegh Khazali (graduated December Benjamin Smith 2016 A Postdoctoral Fellow, Aarhus University) Arina Tashchilina Majid Kheirkhah Alyx Thiessen Paul Kim Mark Thom Faezeh Kimiaee Asadi Andrei Tretiakov Chrissy Knapp Raju Valivarthi Sourabh Kumar Priyaa Varshinee Srinivasan David Lake Seyed Shakib Vedaie Stephen Lane Hao Wang Hon-Wai Lau Marcelo Wu (graduated March 2017 A Postdoctoral Pascal Lefebvre Fellow, National Institute for Standards and Christopher Fetterly Technology) Fenglin Liu (graduated September 2016 A Taozhe Wu Postdoctoral Fellow, University of Alberta) Yadong Wu Thomas Lutz Hezhen Xie Armando Marenco (graduated January 2017) Dan Yang Adam Mayer Hennadii Yerzhakov Kelly McPhee Parisa Zarkeshian William Miranda Xiyu (Zach) Zhang Matthew Mitchell Ali Mohandesi Eugene Moiseev James Moncreiff

2016/2017 ANNUAL REPORT 19 GRADUATE STUDENTS Clinton Potts (graduated December 2016 A PhD Student, University of Alberta) (MSc PROGRAM) Parijat Purohit Sharmin Akter Mohammad Rahmati Muhammad Ruhul Amin (graduated January 2017) Anindya Rastogi Eric Ampong Matthew Robbins Paul Anderson Peash Ranjan Saha Lazima Ansari Lohrasp Seify (graduated April 2016 A Trading Umair Arif Analyst, Parker Trading Corp.) Aaron Barclay Drew Shepherd Clayton Bell Marzia Sultana (graduated August 2016 A Software Alex Cameron Developer, Constellation Financing Systems) Tommy Clark Ashraful Huq Suny (graduated December 2016 A Logan Cooke JAVA Developer, FDM Group) Jeremy Croshaw Mara del Sagrario (Maria) Rossano Tapia Jacob Davidson Jacques Thibault Chetan Deshmukh (graduated February 2017 A PhD Andrei Tretiakov (graduated December 2016 A PhD Student, Institute of Photonic Sciences, Barcelona) Student, University of Alberta) Kelsey Deutsch (graduated April 2016) Wyatt Vine Nuiok Dicaire Stephen Wein Keenan Fanning Braden Wiens Alison Fulton John Wood (graduated November 2016) Abhirup Goswami (graduated September 2016 A Weihuang Xu PhD Student, Queensland University of Technology) Fan Yang (graduated August 2016 A PhD Student, Masoud Habibi Davijani University of British Columbia) Tim Harrison Haoyang (Emmett) Yu Md Asjad Hossain Taras Hrushevskyi (graduated January 2017 A UNDERGRADUATE STUDENTS Research Associate, University of Alberta) Mohamad Al-Jabiri (UofA CHEM401) Shreyas Jalnapurkar Sam Anderson (NSERC USRA) Charles Jensen Dante Bencivenga (Research Assistant) Tasnuba Jesmin Burke Brockelbank (UofC PHYS598) Jiawei Ji Alex Cameron (Summer Research) Aarat Kalra Bipinmeet Chawla (NSERC USRA) Ahmad Imtiaz Khan Holly Christiani (Research Assistant) Mojtaba Komeili Leonardo Cotta (Research Assistant) Mary Ku Jamie Dublanko (UofA CHEM299) Leo Yuxiu Li David Gisu Ham (NSERC USRA) Erika Lloyd Tao He (UARE) Tamiko Masuda Yingjie He (UofA CHEM401 & 403) Aaron Melnyk (graduated December 2016 A Paul Herringer (Research Assistant) Researcher, Micralyne) Graham Hornig (NSERC USRA) Nasrin Hakim Mithila (graduated December 2016 A Chenxi Huang (Engineering Physics Co-op) Software Developer, Ceridian) Aiden Huffman (NSERC USRA) Eugene Moiseev (transferred September 2016 A Cat-Tuong Huynh (UofA CHEM401) PhD Student, University of Calgary) Jonathan Kung (UofC CHEM502) William Morrish David Loewen (UofA CHEM401 & 403) Mahmudun Nabi Christopher Mannes (Research Assistant) Aimaity Nurgul Duncan McIntyre (Research Assistant) Robert Lee Pavelich (graduated September 2016) Stephanie McIntyre (Research Assistant) Alireza Poostindouz (graduated August 2016 A PhD Daniel Mildenberger (Research Assistant) Student, University of Calgary) Mengxing Na (UofA PHYS499)

20 QUANTUM ALBERTA Kimberley Owen (UofC PHYS598) Christian Prosko (NSERC USRA) Arun Rajendran (MITACS Globalink) Charmaine Sablay (UofC CHEM402) Jonathan Shabash (Research Assistant) Qiming Shen (ISWSP) Alexander Shook (UofC PHYS598) Rishabh Shukla (MITACS Globalink) Raunak Singh (UofC CHEM502) Marcus Stack (UofA Undergraduate Research Initiative) James Stevenson (UofC CHEM402) Xinxin Tang (MITACS Globalink) Bryce Taylor (UofC PHYS599) Tracy Tran (UofC CHEM299) Meng Wang (UofA CHEM299) Zhibo Wang (UofA CHEM401 & 403) Scott Wilson (NSERC USRA & Engineering Physics Co-op) Chao Zhang (UofA CHEM401) Tong Zhang (UofA CHEM401 & NSERC USRA) Boyang Zhao (UofA CHEM401)

ADMINISTRATION Jing (Nancy) Lu (Administrator) Kailey Robertson Priyaa Varshinee Srinivasan (Part-Time Webmaster) Lucia Wang (Administrative Assistant)

2016/2017 ANNUAL REPORT 21 PUBLICATIONS

REFEREED JOURNALS B. Acharya, J. Alexandre, K. Bendtz, P. Benes, M. Platkevic V. Popa, M. Pozzato, S. Pospisil, A. J. Bernabeu, M. Campbell, S. Cecchini, J. Rajantie, Z. Sahoun, M. Sakellariadou, S. Sarkar, G. Chwastowski, Y. Cho, A. Chatterjee, M. de Semenoff, G. Sirri, K. Sliwa, R. Soluk, M. Spurio, R. Montigny, D. Derendarz, A. De Roeck, J. R. Ellis, Staszewski, J. Swain, M. Tenti, V. Togo, M. Trzebinski, M. Fairbairn, D. Felea, M. Frank, D. Frekers, C. J. A. Tuszynski, V. Vento, O. Vives, Z. Vykydal and Garcia, G. Giacomelli, M. Giorgini, D. Hasegan, T. A. Widom, “Search for magnetic monopoles with the Hott, J. Jakubek, A. Katre, D-W Kim, M. G. L. King, MoEDAL forward trapping detector in 13 TeV proton- K. Kinoshita, D. Lacarrere, S. C. Lee, C. Leroy, A. proton collisions at the LHC”, Physical Review Letters Margiotta, N. Mauri, N. E. Mavromatos, P. Mermod, 118(6): 061801 (6 pp.), February 2017. V. A. Mitsou, R. Orava, L. Pasqualini, L. Patrizii, G. E. Pavalas, J. L. Pinfold, M. Platkevic, V. Popa, M. M. Adcock, P. Høyer and B. C. Sanders, “Quantum Pozzato, S. Pospisil, A. Rajantie, Z. Sahoun, M. computation with coherent states and the Sakellariadou, S. Sarkar, G. Semenoff, G. Sirri, K. close Hadamard problem”, Quantum Information Sliwa, R. Soluk, M. Spurio, R. Staszewski, J. Swain, Processing 15(4): 1361-1386, April 2016. M. Tenti, V. Togo, M. Trzebinski, J. A. Tuszynski, V. M. Aghajamali, M. Iqbal, T. K. Purkait, L. Hadidi, Vento, O. Vives, Z. Vykydal, T. Whyntie and A. Widom, R. Sinelnikov and J. G. C. Veinot, “Synthesis and “Search for magnetic monopoles with the MoEDAL properties of luminescent silicon nanocrystal/silica prototype trapping detector in 8 TeV proton-proton aerogel hybrid materials”, Chemistry of Materials collision at the LHC”, Journal of High Energy Physics 28(11): 3877–3886, May 2016. 8(67): 1-23, August 2016. M. Ahmadi, B. X. R. Alves, C. J. Baker, W. A. B. Acharya, J. Alexandre, J. Bernabeu, M. Campbell, Bertsche, E. Butler, A. Capra, C. Carruth, C. L. Cesar, S. Cecchini, J. Chwastowski, Y. Cho, M. de Montigny, M. Charlton, S. Cohen, R. Collister, A. Evans, N. D. Derendarz, A. De Roeck, J. R. Ellis, M. Fairbairn, Evetts, J. Fajans, T. Friesen, M. C. Fujiwara, D. R. D. Felea, M. Frank, D. Frekers, G. Giacomelli, M. Gill, A. Gutierrez, J. S. Hangst, W. N. Hardy, M. E. Giorgini, D. Hasegan, T. Hott, J. Jakubek, A. Katre, Hayden, C. A. Isaac, A. Ishida, M. A. Johnson, S. D-W Kim, M. G. L. King, K. Kinoshita, D. Lacarrere, A. Jones, S. Jonsell, L. Kurchaninov, N. Madsen, M. S. C. Lee, C. Leroy, A. Margiotta, N. Mauri, N. E. Mathers, D. Maxwell, J. T. K. McKenna, S. Menary, Mavromatos, P. Mermod, V. A. Mitsou, R. Orava, L. J. M. Michan, T. Momose, J. J. Munich, P. Nolan, Pasqualini, L. Patrizii, G. E. Pavalas J. L. Pinfold, K. Olchanski, A. Olin, P. Pusa, C. Ø. Rasmussen, F.

22 QUANTUM ALBERTA Robicheaux, R. L. Sacramento, M. Sameed, E. Sarid, C. A. Braun, D. Zomerman, I. de Aguiar, Y. Qi, W. T. D. M. Silveira, S. Stracka, G. Stutter, C. So, T. D. Delgado, M. J. Ferguson, R. McDonald, G. L. C. de Tharp, J. E. Thompson, R. I. Thompson, D. P. van der Souza, G. He, A. Brown and E. Rivard, “Probing the Werf and J. S. Wurtele, “Observation of the 1S–2S nature of peripheral boryl groups within luminescent transition in trapped antihydrogen”, Nature 541: tellurophenes”, Faraday Discussions 196: 255-268, 506-510, December 2016. July 2016. A. F. Ali and S. Das, “Stringent theoretical and J. A. J. Burgess, C. M. B. Holt, E. J. Luber, D. C. experimental bounds on graviton mass”, International Fortin, G. Popowich, B. Zahiri, P. Concepcion, D. Journal of Modern Physics D 25(12): 1644001 (6 Mitlin and M. R. Freeman, “Nanoscale structure, pp.), October 2016. dynamics, and aging behavior of metallic glass thin H. M. Alotaibi and B. C. Sanders, “Enhanced films”,Scientific Reports 6: 30973 (9 pp.), August nonlinear susceptibility via double-double 2016. electromagnetically induced transparency”, Physical F. Buscemi and G. Gour, “Quantum relative Lorenz Review A 94(5): 053832 (11 pp.), November 2016. curves”, Physical Review A 95(1): 012110 (12 pp.), A. Ayoub, A. Rabab, J. Xiao, C. Lewis, T. Tilli, K. January 2017. Arakawa, Y. Nindita, G. Chan, L. Sun, M. J. N. Glover, B. Cao, X. He, C. Fetterly, B. C. Olsen, E. J. Luber M. Klobukowski and J. A. Tuszynski, “Antitumor and J. M. Buriak, “Role of interfacial layers in organic activity of lankacidin antibiotics is due to microtubule solar cells: pinning versus phase stabilization via a paclitaxel-like mechanism”, Journal segregation”, ACS Applied Materials & Interfaces I of Medicinal Chemistry 59(20): 9532-9540, October 8(28): 18238-18248, June 2016. 2016. R. Carter, S. Hossain and M. Sultana, “Efficient A. J. Barclay, S. Sheybani-Deloui, K. H. Michaelian, detection of Hessian matrix sparsity pattern”, ACM A. R. W. McKellar and N. Moazzen-Ahmadi, Communications in Computer Algebra 50(4): 151- “Intermolecular vibrational frequencies of the 154, December 2016. C-bonded CO -CO dimer and observation of He-CO - 2 2 M. Ceriott, W. Fang, P. G. Kusalik, R. H. McKenzie, CO trimers”, Chemical Physics Letters 651: 62-65, A. Michaelides, M. A. Morales and T. E. Markland, May 2016. (Editors’ Choice). “Nuclear quantum effects in water and aqueous A. J. Barclay, C. Lauzin, S. Sheybani-Deloui, K. H. systems: Experiment, theory, and current Michaelian and N. Moazzen-Ahmadi, “Detection challenges”, Chemical Reviews 116(13): 7529-7550, of a higher energy isomer of the CO-N2O van der April 2016. Waals complex and determination of two of its A. Chan and J. A. Tuszynski, “Automatic prediction intermolecular frequencies”, Physical Chemistry of tumour malignancy in breast cancer with fractal Chemical Physics 19(2): 1610-1613, January 2017. dimension”, Royal Society Open Science 3: 160558 M. Beig-Mohammadi, N. Sang-Nourpour, B. C. (10 pp.), December 2016. Sanders, B. Lavoie and R. Kheradmand, “Hybrid C. J. Chandler, C. Prosko and F. Marsiglio, “The effect modes tunability in metamaterial nano-waveguides”, of next-nearest neighbour hopping in the one, two, Optical Engineering 56(2): 027105 (9 pp.), February and three dimensional Holstein model”, Scientific 2017. Reports 6: 32591 (9 pp.), September 2016. D. Biswal and P. G. Kusalik, “Probing molecular M. Chehelamirani, M. C. da Silva and D. R. Salahub, mechanisms of self-assembly in metal–organic “Electronic properties of carbon nanotubes frameworks”, ACS Nano 11(1): 258-268, December complexed with a DNA nucleotide”, Physical 2016. Chemistry Chemical Physics 19(10): 7333-7342, M. H. Bitarafan, C. A. Potts and R. G. DeCorby, February 2017. “Cut-off-based dual-taper reflectors in on-chip hollow C.-C. Chen, L. Muechler, R. Car, T. Neupert and J. waveguides”, Optics Express 25(5): 5105-5106, Maciejko, “Fermionic symmetry-protected topological February 2017. phase in a two-dimensional Hubbard model”, S. Bohloul, Q. Shi, R. A. Wolkow and H. Guo, Physical Review Letters 117(9): 096405 (5 pp.), “Quantum transport in gated dangling-bond atomic August 2016. wires”, Nano Letters 17(1): 322-327, December 2016.

2016/2017 ANNUAL REPORT 23 Z. G. Cheng and J. Beamish, “Compression-driven I. A. Fedorov, A. E. Ulanov, Y. Kurochkin and A. I. mass flow in bulk solid4 He”, Physical Review Letters Lvovsky, “Synthesis of the Einstein-Podolsky-Rosen 117(5): 025301 (5 pp.), July 2016. entanglement in a sequence of two single-mode E. Chitambar and G. Gour, “Critical examination of squeezers”, Optics Letters 42(1): 132-134, January incoherent operations and a physically consistent 2017. resource theory of quantum coherence”, Physical L. Fent and A. Meldrum, “A foveon sensor/green- Review Letters 117(3): 030401 (5 pp.), July 2016. pass filter technique for direct exposure of traditional (Editors’ Suggestion). false color images”, Journal of Imaging 2(2): 2020014 E. Chitambar and G. Gour, “Comparison of (21 pp.), May 2016. incoherent operations and measures of coherence”, L. A. Ferraz-Albani, A. Baldelli, C. J. Knapp, W. Physical Review A 94(5): 052336 (19 pp.), November Jäger, R. Vehring, D. S. Nobes, J. S. Olfert and L. 2016. W. Kostiuk, “Enhanced evaporation of microscale R. J. Clark, M. Aghajamali, C. M. Gonzalez, L. Hadidi, droplets with an infrared laser”, Journal of Heat M. A. Islam, M. Javadi, M. H. Mobarok, T. K. Purkait, Transfer 139(1), 011503 (8 pp.), September 2016. C. J. T. Robidillo, R. Sinelnikov, A. N. Thiessen, A. François, N. Riesen, K. Gardner, T. M. Monro and J. Washington, H. Yu and J. G. C Veinot, “From A. Meldrum, “Lasing of whispering gallery modes in hydrogen silsesquioxane to functionalized silicon optofluidic microcapillaries”,Optics Express 24(12): nanocrystals”, Chemistry of Materials 29(1): 80-89, 12466-12477, May 2016. October 2016. J. Gao, N. A. Seifert, J. Thomas, Y. Xu and W. J. P. Clemens, C. Sarsons, C. M. Platnich, A. Jäger, “Structure and internal rotation dynamics of Banerjee, B. Blasiak, B. Tomanek, K. D. Rinker and the acetone-neon complex studied by microwave

S. Trudel, “Maltol-functionalized Fe3O4 nanoparticles spectroscopy”, Journal of Molecular Spectroscopy as T2 magnetic resonance imaging contrast agents”, 330: 228-235, December 2016. Chemistry Select 1(8): 1602-1606, June 2016. F. Gentile, J. A. Tuszynski and K.H. Barakat, S. Das and G. Kunstatter, “The central role of “Modelling DNA repair pathways: Recent advances symmetry in physics”, Journal of Applied and and future directions”, Current Pharmaceutical Fundamental Sciences 2(2): 69-77, July 2016. Design 22(23): 3527-3546, April 2016. (Invited Review). P. E. Ghaly, R. A. El-Magd, C. Churchill, J. A. S. Deb, S. Das and E. C. Vagenas, “Discreteness Tuszynski and F. G. West, “A new noscapine of space from GUP in a weak gravitational field”, analogue: Chemical synthesis and biological Physics Letters B 755: 17-23, April 2016. evaluation”, Oncotarget 7(26): 40518-40530, May M. Dehghany, M. Rezaei, N. Moazzen-Ahmadi, A. R. 2016. W. McKellar, J. Brown, X.-G. Wang and T. Carrington, P. E. Ghaly, C. D. M. Churchill, R. M. Abou-El Magd,

“Intermolecular vibrations of the CO2-CS2 complex: Z. Hajkova, P. Draber, F. G. West and J. A. Tuszynski, Experiment and theory agree, but understanding “Synthesis and biological evaluation of structurally remains challenging”, Journal of Molecular simplified noscapine analogues as microtubule Spectroscopy 330: 188-193, December 2016. binding agents”, Canadian Journal of Chemistry 95: H. Dittmar and P. G. Kusalik, “Ordering effects of 649-655, March 2017. conjugate thermal fields in simulations of molecular M. Girard and G. Gour, “Entanglement monotones liquids: Carbon dioxide and water”, Journal of and transformations of symmetric bipartite states”, Molecular Spectroscopy 145(13): 134504 (11 pp.), Physical Review A 95(2): 012308 (15 pp.), January October 2016. 2017. Z. A. Elhouderi, D. P. Beesley, T. T. Nguyen, P. Lai, C. M. Gonzalez and J. G. C. Veinot, “Silicon K. Sheehan, S. Trudel, E. Prenner, D. T. Cramb and nanocrystals for the development of sensing M. Anikovskiy, “Synthesis, characterization, and platform”, Journal of Materials Chemistry C 4: 4836- application of Fe3O4/Ag magnetic composites for 4846, April 2016. mercury removal from water”, Materials Research D. Moseguí González, K.N. Raftopoulos, G. Express 3(4): 045013 (9 pp.), April 2016. He, C. M. Papadakis, A. Brown, E. Rivard and

24 QUANTUM ALBERTA P. Müller-Buschbaum, “Bandgap-tuning in of engineered Si nanoparticles in light-induced triple-chalcogenophene polymer films by thermal advanced oxidation remediation of a water-borne annealing”, Macromolecular Rapid Communications model contaminant”, ACS Nano 10(5): 5405-5412, 38(1): 1700065 (6 pp.), March 2017. April 2016. G. Gour and T. Kemp, “The minimum Rényi entropy M. A. Islam, T. K. Purkait, M. H. Mobarok, I. M. output of a is locally additive”, D. Hoehlein, R. Sinelnikov, M. Iqbal, D. Azulay, I. Letters in Mathematical Physics 107: 1131-1155, Balberg, O. Millo, B. Rieger and J. G. C. Veinot, December 2016. “Grafting poly(3-hexylthiophene) from silicon G. Grasso; J. A. Tuszynski, U. Morbiducci, nanocrystal surfaces: Synthesis and properties of G. Licandro, A. Danani and M. A. Deriu, a functional hybrid material with direct interfacial “Thermodynamic and kinetic stability of the Josephin contact”, Angewandte Chemie (International Edition) domain closed arrangement: Evidences from replica 55: 7393-7397, May 2016. exchange molecular dynamics”, Biology Direct 12:2 V. Jelic, K. Iwaszczuk, P. H. Nguyen, C. Rathje, G. J. (15 pp.), January 2017. Hornig, H. M. Sharum, J. R. Hoffman, M. R. Freeman K. Wm. Hall, C. Perin, P. G. Kusalik, C. Gutwin and and F. A. Hegmann, “Ultrafast terahertz control of S. Carpendale, “Formalizing emphasis in information extreme tunnel currents through single atoms on visualization”, Computer Graphics Forum 35(3): a silicon surface”, Nature Physics 13: 591-598, 717-737, June 2016. published on line in February 2017. K. Wm. Hall, S. Carpendale and P. G. Kusalik, C. Jin, B. C. Olsen, E. J. Luber and J. M. Buriak, “Evidence from mixed hydrate nucleation for a funnel “Nanopatterning via solvent vapor annealing of block model of crystallization”, Proceedings of the National copolymer thin films”,Chemistry of Materials 29(1): Academy of Sciences of the United States of America 176-188, September 2016. 113(43): 12041-12046, October 2016. C. Jin, B. C. Olsen, E. J. Luber and J. M. Buriak, K. Wm. Hall, Z.-C. Zhang and P. G. Kusalik, “Preferential alignment of incommensurate block “Unraveling mixed hydrate formation: Microscopic copolymer dot arrays forming Moiré superstructures”, insights into early stage behavior”, Journal of ACS Nano 11(3): 3237-3246, February 2017. Physical Chemistry B 120(51): 13218-13223, C. Jin, B. C. Olsen, N. L. Y. Wu, J. M. Buriak and E. J. December 2016. Luber, “Sequential nanopatterned block copolymer P. Hayden, S. Nezami, G. Salton and B. C. Sanders, self-assembly on surfaces”, Langmuir 32(23): 5890- “Spacetime replication of continuous variable 5898, May 2016. quantum information”, New Journal of Physics 18(8): W. H. Kan, R. Dong, J.-S. Bae, S. Adams and V. 083043 (30 pp.), August 2016. Thangadurai, “Probing surface valence, magnetic T. Hill, B. C. Sanders and H. Deng, “Cooperative property, and oxide ion diffusion pathway in B-site ordered perovskite-type Ba Ca M NbO (M=Mn, light scattering in any dimension”, Physical Review A 2 0.67 0.33 6 − δ 95(3): 033832 (5 pp.), March 2017. Fe, Co)”, Solid State Ionics 290: 90-97, July 2016. J. Hrivnák and M. Walton, “Weight-lattice A. Kuban-Jankowska, K. K. Sahu, M. Gorska, P. discretization of Weyl-orbit functions”, Journal of Niedzialkowski, J. A. Tuszynski, T. Ossowski and Mathematical Physics 57(8): 083512 (13 pp.), August M. Wozniak, “Aurintricarboxylic acid structure 2016. modifications lead to reduction of inhibitory properties against virulence factor YopH and higher M. Hu, F. Liu and J. M. Buriak, “Expanding the cytotoxicity”, World Journal of Microbiology and repertoire of molecular linkages to silicon: Si-S, Si-Se, Biotechnology 31: 163 (8 pp.), August 2016. and Si-Te bonds”, ACS Applied Materials & Interfaces 8(17): 11091-11099, April 2016. A. Khalique and B. C. Sanders, “Long-distance using concatenated J. Hutchinson and J. Maciejko, “Rashba scattering entanglement swapping with practical resources”, in the low-energy limit”, Physical Review B 93(24): Optical Engineering 56(1): 016114 (8 pp.), January 245309 (9 pp.), June 2016. 2017. M. Iqbal, T. K. Purkait, G. G. Goss, J. R. Bolton, M. Khazali, H. W. Lau, A. Humeniuk and C. Simon, M. Gamal El-Din and J. G. C. Veinot, “Application “Large energy superpositions via Rydberg dressing”,

2016/2017 ANNUAL REPORT 25 Physical Review A 94(2): 023408 (9 pp.), August deconvolution method for weak absorber detection 2016. in the presence of strongly overlapping background P. Kilcullen, M. Shegelski, M.-X. Na, D. Purschke, absorptions”, Optics Letters 42(7): 1424-1427, March F. Hegmann and Matthew Reid, “Terahertz 2017. spectroscopy and Brewster angle reflection imaging X.-C. Liu, M. Wahiduzzaman, A. F. Oliveira, T. Heine of acoustic tiles”, Journal of Spectroscopy 2017: and D. R. Salahub, “Density-functional-based 2134868 (6 pp.), March 2017. tight-binding parameterization of Mo, C, H, O and Si P. H. Kim, B. D. Hauer, C. Doolin, F. Souris and for studying hydrogenation reactions on molybdenum J. P. Davis, “Approaching the standard quantum carbide”, Theoretical Chemistry Accounts 135: 168 limit of mechanical torque sensing”, Nature (14 pp.), June 2016. Communications 7: 13165 (6 pp.), October 2016. X. Liu, D. Hou, J. Thomas, H. Li and Y. Xu, “Ro- vibrational spectrum of H O-Ne in the v H O bending S. Kumar, K. Boone, J. A. Tuszynski, P. E. Barclay and 2 2 2 C. Simon, “Possible existence of optical region: A combined ab initio and experimental communication channels in the brain”, Scientific investigation”, Journal of Molecular Spectroscopy Reports 6: 36508 (13 pp.), November 2016. 330: 236-247, August 2016. (Bob LeRoy special issue). H. Labidi, M. Koleini, T. Huff, M. Salomons, M. Cloutier, J. L. Pitters and R. A. Wolkow, J. E. Losby and M. R. Freeman, “Spin mechanics”, “Indications of chemical bond contrast in AFM Physics in Canada 72(2): 71-75, April 2016. (Feature images of a hydrogen terminated silicon surface”, Article). Nature Communications 8: 14222 (7 pp.), February T. Lutz, L. Veissier, C. W. Thiel, R. L. Cone, P. E. 2017. Barclay and W. Tittel, “Modification of phonon X.-H. Li, M. C. da Silva and D. R. Salahub, “First- processes in nano-structured rare-earth-ion-doped principles calculations of the structural, mechanical, crystals”, Physical Review A 94(1): 013801 (5 pp.), July 2016. electronic and bonding properties of (CrB2)n CrAl with n = 1, 2, 3”, Journal of Alloys and Compounds 698: S. Maillette, C. Peyrot, T. Purkait, M. Iqbal, J. G. C. 291-303, March 2017. Veinot and K. J. Wilkinson “Heteroagglomeration of nanosilver with colloidal SiO and clay” Environmental Y. Li, S. Yu, J. G. C. Veinot; J. Linnros, L. Berglund 2 and I. Sychugov, “Luminescent transparent wood”, Chemistry 14(1): 1-8, August 2016. Advanced Optical Materials 5(16): 1600834 (5 pp.), M. Maninder, D. Singh, T. Mahaddalkar, M. Lopus, November 2016. P. Winter; A. T. Ayoub, K. Missiaen, T. M. Tilli, M. F. Liu, B. C. Olsen, E. J. Luber and J. M. Buriak, Pasdar and J. A. Tuszynski, “Chemical synthesis, “Polymers, plasmons & patterns – mechanism pharmacological evaluation and in silico analysis of plasmon-induced hydrosilylation on silicon”, of new 2,3,3a,4,5,6-hexahydrocyclopenta[c] Chemistry of Materials 28(24): 9158-9168, November pyrazole derivatives as potential anti-mitotic agents”, 2016. Bioorganic & Medicinal Chemistry Letters 26(15): 3855-3861, July 2016. L. Liu, A. Mandelis, A. Melnikov, K. H. Michaelian, H. Huan and C. Haisch, “Step-scan T-cell Fourier A. Marinins, Z. Yang, H. Chen, J. Linnros, J. G. transform infrared photoacoustic spectroscopy (FTIR- C. Veinot, S. Popov and I. Sychugov, “Photostable PAS) for monitoring environmental air pollutants”, polymer/Si nanocrystal bulk hybrids with tunable International Journal of Thermophysics 37: 64 (9 pp.), photoluminescence”, ACS Photonics 3(9): 1575- May 2016. 1580, August 2016. L. Liu, A. Mandelis, H. Huan, K. H. Michaelian and E. Martín-Martínez and B. C. Sanders, “Precise A. Melnikov, “Step scan T-Cell Fourier transform space-time positioning for entanglement harvesting”, infrared photoacoustic spectroscopy (FTIR-PAS) for New Journal of Physics 18(4): 043031 (10 pp.), April detection of ambient air contaminants”, Vibrational 2016. Spectroscopy 87: 94-98, November 2016. A. Melnyk, M. H. Bitarafan, T. W. Allen and R. G. L. Liu, A. Mandelis, H. Huan and K. H. Michaelian, DeCorby, “Air gap resonant tunneling bandpass filter “Step-scan differential Fourier transform infrared and polarizer”, Optics Letters 41(8): 1845-1848, April photoacoustic spectroscopy (DFTIR-PAS): A spectral 2016.

26 QUANTUM ALBERTA A. Melnyk, C. A. Potts, T. W. Allen and R. G. DeCorby, rare-earth ion coupled to a photonic cavity”, Physical “Visible-range hollow waveguides by guided buckling Review A 94(4): 043807 (7 pp.), October 2016. of Ta O /SiO multilayers”, Applied Optics 55(13): 2 5 2 J. Norooz Oliaee, M. Dehghany, M. Rezaei, A. 3645-3649, April 2016. R. W. McKellar and N. Moazzen-Ahmadi, “Five

G. R. Meseck, A. S. Terpstra, A. J. Marenco, S. intermolecular vibrations of the CO2 dimer observed Trudel, W. Y. Hamad and M. J. MacLachlan, “Chiral via infrared combination bands”, Journal of Chemical nematic mesoporous magnetic ferrites”, Journal of Physics 145(17): 174302 (6 pp.), November 2016. Materials Chemistry C 4: 11382-11386, November L. M. F. de Oliveira, R. G. Vicari, A. Brown and G.L.C. 2016. de Souza, “A DFT investigation on the structural and M. J. Mitchell, B. Khanaliloo, D. Lake, T. Masuda, J. antioxidant properties of new isolated interglycosidic P. Hadden and P. E. Barclay, “Single-crystal diamond O-(1→3) linkage flavonols,Journal of Molecular low-dissipation cavity optomechanics”, Optica 3(9): Modeling 22: 100 (9 pp.), April 2016. 963-970, September 2016. K. J. Ong, L. C. Felix, D. Boyle, J. D. Ede, G. N. Moazzen-Ahmadi and J. Norooz Oliaee, “The Ma, J. G. C. Veinot and G. G. Goss, “Humic acid band system of ethane around 7 micron: Frequency ameliorates nanoparticle-induced developmental analysis of the v6 band”, Journal of Quantitative toxicity in zebrafish”,Environmental Science: Nano Spectroscopy and Radiative Transfer 180: 7-13, 4(1): 127-137, January 2017. September 2016. E. Owusu-Ansah, Y. M. Wang and Y. J. Shi, “A M. H. Mobarok, T. K. Purkait, M. A. Islam, M. Miskolzie theoretical study of the structures and electronic and J. G. C. Veinot, “Instantaneous functionalization transitions of small silicon nitride clusters (SinNm, n of chemically etched silicon nanocrystal surfaces”, + m ≤ 4)”, Journal of Molecular Spectroscopy 330: Angewandte Chemie (International Edition) 55: 1-6, 200-210, August 2016. November 2016, I. Ozfidan, J.-S. Han and J. Maciejko, “Gapless M. R. Momeni and A. Brown, “A local CC2 and TDA- helical superconductivity on the surface of a three- DFT double hybrid study on BODIPY/aza-BODIPY dimensional topological insulator”, Physical Review B dimers as heavy atom free triplet photosensitizers 94(21): 214510 (11 pp.), December 2016. for photodynamic therapy applications”, Journal N. S. Pagadala, K. Syed and J. A. Tuszynski, of Physical Chemistry A 120(16): 2550–2560, April “Software for molecular docking: A review”, 2016. Biophysical Reviews 9(2): 91-102, January 2017. M. R. Momeni, “Intramolecular singlet fission in R. L. Pavelich and F. Marsiglio, “Calculation of 2D quinoidal bi- and tetrathiophenes: A comparative electronic band structure using ”, study of low-lying excited electronic states and American Journal of Physics 84: 924-935, September potential energy surfaces, Journal of Chemical 2016. Theory and Computation 12(10): 5067–5075, September 2016. P. Piazzetta, T. Marino, N. Russo and D. R. Salahub, “Explicit water molecules play a key role in the W. Morrish, P. West, N. Orlando, E. Klantsataya, K. mechanism of rhodium-substituted human carbonic Gardner, S. Lane, R. G. DeCorby, A. François and anhydrase”, ChemCatChem 9: 1047-1053, February A. Meldrum, “Refractometric micro-sensor using a 2017. mirrored capillary resonator”, Optics Express 24(22): 24959-24970, October 2016. M. R. Poopari, Z. Dezhahang and Y. Xu, “Stereochemical properties of multi-dentate nitrogen V. Narasimhachar and G. Gour, “Resource theory donor ligands and their copper complexes by under conditioned thermal operations”, Physical electronic CD and DFT”, Chirality 28: 545-555, June Review A 95(1): 012313 (11 pp.), January 2017. 2016. M. Y. Niu, B. C. Sanders, F. N. C. Wong and J. M. Parvez, L. B. Qhanya, N. T. Mthakathi, I. K. R. H. Shapiro, “Unity-efficiency parametric down- Kgosiemang, H. D. Bamal, N. S. Pagadala, T. Xie, conversion via amplitude amplification”,Physical H. Yang, H. Chen, C. W. Theron, R. Monyaki, S. Review Letters 118(12): 123601 (6 pp.), March 2017. C. Raselemane, V. Salewe, B. L. Mongale, R. G. C. O’Brien, T. Zhong, A. Faraon and C. Simon, Matowane, S. M. H. Abdalla, W. I. Booi, M. van “Nondestructive photon detection using a single Wyk, D. Olivier, C. E. Boucher, J. A. Tuszynski,

2016/2017 ANNUAL REPORT 27 J. M. Blackburn, J-H Yu, S. S. Mashele, W. Chen selection using molecular landscape topology and and K. Syed, “Molecular evolutionary dynamics thermodynamics,” Oncotarget 8(12): 18735-18745, of cytochrome P450 monooxygenases across October 2016. kingdoms: Special focus on mycobacterial P450s”, A. Ritchie, W. Cao, M. Dasog, T. K. Purkait, C. Scientific Reports 6: 33099 (13 pp.), September Senger, Y. F. Hu, Q. F. Xiao, J. G. C. Veinot and S. 2016. G. Urquhart, “Silicon 1s near edge X-ray absorption E. Pradhan and A. Brown, “Neural network fine structure spectroscopy of functionalized silicon exponential fitting of a potential energy surface with nanocrystals”, Journal of Chemical Physics 145(15): multiple minima: Application to HFCO”, Journal of 154703 (7 pp.), October 2016. Molecular Spectroscopy 330: 158-164, December E. Saglamyurek, M. L. Grimau Puigibert, Q. Zhou, 2016. (Potentiology and Spectroscopy in Honor of L Giner, F. Marsili, V. B. Verma, S. W. Nam, L. Robert Le Roy). Oesterling, D. Nippa, D. Oblak and W. Tittel, “A E. Pradhan and A. Brown, “Vibrational energies for multiplexed light-matter interface for fibre-based HFCO using a neural network sum of exponentials quantum networks”, Nature Communications 7: potential energy surface”, The Journal of Chemical 11202 (7 pp.), April 2016. Physics 144(17): 174305 (9 pp.), May 2016. V. Salari, I. Bókkon, R. Ghobadi, F. Scholkmann and J. T. K. Purkait, M. Iqbal, M. A. Islam, M. H. Mobarok, C. A. Tuszynski, “Relationship between intelligence and M. Gonzalez, L. Hadidi and J. G. C. Veinot, “Alkoxy- spectral characteristics of brain biophoton emission: terminated si surfaces: A new reactive platform for Correlation does not automatically imply causation”, the functionalization and derivatization of silicon Proceedings of the National Academy of Science of quantum dots”, Journal of the American Chemistry the United States of America 113(38): E5540-E5541, Society 138(22): 7114-7120, May 2016. August 2016. M. Rashidi, J. A. J. Burgess, M. Taucer, R. Achal, J. M. A. Salem, I. Twelves, and A. Brown, “Prediction L. Pitters, S. Loth and R. A. Wolkow, “Time-resolved of two-photon absorption enhancement in red single dopant charge dynamics in silicon”, Nature fluorescent protein chromophores made from non- Communications 7: 13258 (7 pp.), October 2016. canonical amino acids”, Physical Chemistry Chemical M. Rashidi, M. Taucer, I. Ozfidan, E. Lloyd, M. Koleini, Physics 18: 24408-24416, August 2016. H. Labidi, J. L. Pitters, J. Maciejko and R. A. Wolkow, E. G. Schnitzler, J. M. Gac and W. Jäger, “Coating “Time-resolved imaging of negative differential surface tension dependence of soot aggregate resistance on the atomic scale”, Physical Review restructuring”, Journal of Aerosol Science 106: 43-55, Letters 117(27): 276805 (5 pp.), November 2016. January 2017. (Featured in Physics: Focus). E. G. Schnitzler, N. A. Seifert, S. Ghosh, J. Thomas, T. Reynolds, N. Riesen, A. Meldrum, X. Fan, J. M. M. Y. Xu and W. Jäger, “Hydration of the simplest α-keto Hall, T. M. Monro and A. François, “Fluorescent and acid: a rotational spectroscopic and ab initio study of lasing whispering gallery mode microresonators for the pyruvic acid-water complex”, Physical Chemistry sensing applications”, Laser & Photonics Reviews Chemical Physics 19: 4440-4446, January 2017. 11(2): 1600265 (20 pp.), March 2017. J. G. Sheff, F. Farshidfar, O. F. Bathe, K. Kopciuk, M. Rezaei, J. Norooz Oliaee, N. Moazzen-Ahmadi F. Gentile, K. Barakat and D. C. Schriemer, “Novel and A. R. W. McKellar, “Infrared spectra reveal allosteric pathway of Eg5 regulation identified box-like structures for a pentamer and hexamer of through multivariate statistical analysis of HX-MS mixed carbon dioxideacetylene clusters”, Physical ligand screening data”, Molecular Cell Proteomics Chemistry Chemical Physics 18(3): 1381-1385, 16: 428-437, March 2017. August 2016. (Cover Article). P. Shekhar, M. Malac, V. Gaind, N. Dalili, A. Meldrum M. Rezaei, A. R. W. McKellar and N. Moazzen- and Z. Jacob, “Momentum-resolved electron energy

Ahmadi, “The infrared spectrum of the Ar-C2D2 loss spectroscopy for mapping the photonic density complex”, Journal of Molecular Spectroscopy 328: of states”, ACS Photonics, 4(4): 1009-1014, March 46-49, October 2016. 2017. E. A. Rietman, J. G. Scott, J. A. Tuszynski and Y. J. Shi, L. Tong and S. Mulmi, “Characterization G. L. Klement, “Personalized anticancer therapy of thin film deposits on tungsten filaments in

28 QUANTUM ALBERTA catalytic chemical vapor deposition using T. M. Tilli, N. Carels, M. Pasdar and J. A. Tuszynski, 1,1-dimethylsilacyclobutane”, Journal of Vacuum “Validation of a network-based strategy for the Science and Technology A 34(5): 051517 (7 pp.), optimization of combinatorial target selection in August 2016. (Featured Article and Cover Article). breast cancer therapy: siRNA knockdown of a network of targets in MDA-MB-231 cells as an in N. Sinclair, K. Heshami, C. Deshmukh, D. Oblak, C. vitro model for inhibition of tumor development”, Simon and W. Tittel, “Proposal and proof-of-principle Oncotarget 7(39): 63189-63203, August 2016. demonstration of non-destructive detection of photonic qubits using a Tm:LiNbO3 waveguide”, J. Thomas, N. A. Seifert, W. Jäger and Y. Xu, Nature Communications 7: 13454 (6 pp.), November “A direct link from the gas to the condensed 2016. phase: A rotational spectroscopic study of 2,2,2-Trifluoroethanol trimers”,Angewandte Chemie N. Sinclair, D. Oblak, C. W. Thiel, R. L. Cone and (International Edition) 56: 1-6, February 2017. W. Tittel, “Properties of a rare-earth-ion-doped waveguide at sub-Kelvin temperatures for quantum J. Thomas, M. J. Carillo, A. Serrato III, E. signal processing”, Physical Review Letters 118(100): G. Schnitzler, W. Jäger, Y. Xu, and W. Lin, 100504 (5 pp.), March 2017. “Conformational analysis of 3,3,3-trifluoro-2- (trifluoromethyl)propanoic acid”,Chemical Physics B. Sotillo, V. Bharadwaj, J. P. Hadden, M. Sakakura, Letters 661: 210-214, September 2016. A. Chiappini, T. T. Fernandez, S. Longhi, O. Jedrkiewicz, Y. Shimotsuma, L. Criante, J. Thomas, E. Mariona and Y. Xu, “Rotational R. Osellame, G. Galzerano, M. Ferrari, K. Miura, spectra of two six-membered heterocyclic N-methyl- R. Ramponi, P. E. Barclay and S. M. Eaton, “Diamond piperidinol compounds: Conformations by OH photonics platform enabled by femtosecond laser rotation, N-methyl inversion, and ring puckering”, writing”, Scientific Reports 6: 35566 (9 pp.), October Journal of Chemical Physics 146(10): 104303 (8 pp.), 2016. March 2017. B. Sotillo, V. Bharadwaj, J. P. Hadden, S. Rampini, J. A. Tuszynski, C. Wenger, D. E. Friesen and J. Preto, A. Chiappini, T. T. Fernandez, C. Armellini, A. “An Overview of sub-cellular mechanisms involved Serpengüzel , M. Ferrari, P. E. Barclay, R. Ramponi in the action of TTFields”, International Journal of and S. M. Eaton, “Visible to infrared diamond Environmental Research and Public Health 13(11): photonics enabled by focused femtosecond laser 1128 (23 pp.), November 2016. pulses”, Micromachines 8(2): 60 (10 pp.), February L. V Titova1, T. L. Cocker, S. Xu, J.-M. Baribeau, X.-H. 2017. Wu, D. J. Lockwood and F. A. Hegmann, “Ultrafast G. L. C. de Souza and A. Brown, “The ground and carrier dynamics and the role of grain boundaries in excited states of HBrO2 [HOOBr, HOBrO, and HBr(O) polycrystalline silicon thin films grown by molecular

O] and HBrO3 (HOOOBr and HOOBrO) isomers”, beam epitaxy”, Semiconductor Science and Theoretical Chemistry Accounts 135(7): 1-13, July Technology 31(10): 105017 (9 pp.), September 2016. 2016. A. E. Ulanov, I. A. Fedorov, D. Sychev, P. Grangier T. X. R. Souza and F. Marsiglio, “Systematic study of and A. I. Lvovsky, “Loss-tolerant quantum enhanced the superconducting critical temperature in two- and metrology and state engineering via the reverse three-dimensional tight-binding models: A possible Hong-Ou-Mandel effect”, Nature Communications 7: scenario for superconducting H3S”, Physical Review 11925 (6 pp.), June 2016. B 94(18): 184509 (14 pp.), November 2016. R. Urban, H. Moritani , R. A. Wolkow and J. L. Pitters, S. Sun and A. Brown, “Effects of hydrogen bonding “Reactive gas ion beam generation using single with H2O on the resonance Raman spectra of uracil atom W(111) gas field ion sources”,Microscopy and and thymine”, Computational and Theoretical Microanalysis 22: 616-617, July 2016. Chemistry 1100, 70-82, January 2017. A. Urichuk and M. Walton, “Adjoint affine fusion and T. M. Tilli, C. da Silva Castro, J. A. Tuszynski and N. tadpoles”, Journal of Mathematical Physics 57(6): Carels, “A strategy to identify housekeeping genes 061702 (16 pp.), June 2016. suitable for analysis in breast cancer diseases”, BMC V. R. R. Valivarthi, M. L. Grimau Puigibert, Q. Zhou, Genomics 17: 639 (11 pp.), August 2016. G. Aguilar, V. B. Verma, F. Marsili, M. D. Shaw, S. W. Nam, D. Oblak and W. Tittel, “

2016/2017 ANNUAL REPORT 29 across a metropolitan fibre network”,Nature E. Zahedinejad, J. Ghosh and B. C. Sanders, Photonics 10: 676-680, September 2016. “Designing high-fidelity single-shot three-qubit gates: L. Veissier, C. W. Thiel, T. Lutz, P. E. Barclay, W. Tittel A machine-learning approach”, Physical Review and R. L. Cone, “Optical decoherence and spectral Applied 6(5): 054005 (18 pp.), November 2016. diffusion in an erbium-doped silica glass fiber N. Zerf, C.-H. Lin and J. Maciejko, “Superconducting featuring long-lived spin sublevels”, Physical Review quantum criticality of topological surface states at B 94(19): 195138 (6 pp.), November 2016. three loops”, Physical Review B 94(20): 205106 (17 L. Veissier, C. W. Thiel, T. Lutz, P. E. Barclay, W. pp.), November 2016. (Editors’ Suggestion). Tittel and R. L. Cone, “Quadratic Zeeman effect and W.-W. Zhang, S. K. Goyal, F. Gao, B. C. Sanders and spin-lattice relaxation of Tm3+:YAG at high magnetic C. Simon, “Creating cat states in one-dimensional fields”,Physical Review B 94(20): 205133 (9 pp.), quantum walks using delocalized initial states”, New November 2016. Journal of Physics 18(9): 093025 (14 pp.), September W. Wang, H. Zhang, X. Wang, J. Patterson, P. Winter, 2016. K. Graham, S. Ghosh, J. C. Lee, C. D. Katsetos, X.-H. Zhang, B. Blasiak, A. J. Marenco, S. Trudel, B. J. Mackey, J. A. Tuszynski, G. K-S Wong and R. F. Tomanek and F. C. J. M. van Veggel, “Design and

Ludueña, “Novel mutations involving βI-, βIIA-, or regulation of NaHoF4 and NaDyF4 nanoparticles for βIVB-tubulin isotypes with functional resemblance to high-field magnetic resonance imaging”,Chemistry βIII-tubulin in breast cancer”, Protoplasma 254(3): of Materials 28(9): 3060-3072, April 2016. 1163-1173, December 2016. Y. Zhang, M. R. Poopari, X. Cai, A. Savin, Z. S. Wein, K. Heshami, C. Fuchs, H. Krovi, Z. Dutton, Dezhahang, J. Cheramy and Y. Xu, “IR and W. Tittel and C. Simon, “Efficiency of an enhanced vibrational circular dichroism spectroscopy of linear optical Bell-state measurement scheme with matrine- and artemisinin-type herbal products: realistic imperfections”, Physical Review A 94(3): Stereochemical characterization and solvent effects”, 032332 (13 pp.), September 2016. Journal of Natural Products 79(4): 1012–1023, April D. White, D. Coombe, V. Rezania and J. A. Tuszynski, 2016. “Building a 3D virtual liver: Methods for simulating blood flow and hepatic clearance on 3D structures”, PLoS One 11(9): e0162215 (24 pp.), September REFEREED CONFERENCE 2016. PROCEEDINGS M. D. Wiens, Y. Shen, X. Li, M. A. Salem, N. Smisdom, W. Zhang, A. Brown and R. E. Campbell, “A tandem L. Ansari, S. Hossain and A. I. Khan, “DSMDE: green-red heterodimeric fluorescent protein with high A data exchange format for design structure FRET efficiency”,ChemBioChem 17(24): 2361–2367, models”, Proceedings of the 18th International DSM December 2016. Conference, pp: 111-121, São Paulo, Brazil, 29 Aug 2016-30 Aug 2016, published by the Journal of M. Wu, N. L.-Y. Wu, T. Firdous, F. F. Sani, J. E. Losby, Modern Project Management. M. R. Freeman and P. E. Barclay, “Nanocavity optomechanical torque magnetometry and RF R. Benkoczi, D. R. Gaur and M. Thom, “A susceptometry”, Nature Nanotechnology 12: 127- 2-Approximation algorithm for barrier coverage 131, October 2016. (Featured in Globe and Mail). by weighted non-uniform sensors on a line”, Proceedings of 12th International Symposium on F. Yang, A. Tashchilina, E. S. Moiseev, C. Simon and Algorithms and Experiments for Sensor Systems, A. I. Lvovsky, “Far-field linear optical superresolution Wireless Networks and Distributed Robotics, pp: via heterodyne detection in a higher-order local 95-111, Aarhus, Denmark, 25 Aug 2016-26 Aug oscillator mode”, Optica 3(10): 1148-1152, October 2016, published by Springer. 2016. R. Benkoczi, R. Dahal and D. R. Gaur, “Exact P. Ye, T. L. Hughes, J. Maciejko and E. Fradkin, algorithms for weighted coloring in special classes “Composite particle theory of three-dimensional of tree and cactus graphs”, Proceedings of 27th gapped fermionic phases: Fractional topological International Workshop on Combinatorial Algorithms, insulators and charge-loop excitation symmetry”, pp. 347-358, Helsinki, Finland, 17 Aug 2016-19 Aug Physical Review B 94(11): 115104 (23 pp.), 2016, published by Springer. September 2016.

30 QUANTUM ALBERTA A. Capra, C. Amole, M. D. Ashkezari, M. Baquero- V. Jelic, K. Iwaszczuk, P. H. Nguyen, C. Rathje, G. J. Ruiz, W. A. Bertsche, E. Butler, C. L. Cesar, M. Hornig, H. M. Sharum, J. R. Hoffman, M. R. Freeman Charlton, S. Eriksson, J. Fajans, T. Friesen, M. C. and F. A. Hegmann, “Ultrafast terahertz scanning Fujiwara, D. R. Gill, A. Gutierrez, J. S. Hangst, W. tunneling microscopy with atomic resolution”, N. Hardy, M. E. Hayden, C.A. Isaac, S. Jonsell, L. Proceedings of Frontiers in Optics 2016, paper Kurchaninov, A. Little, J. T. K. McKenna, S. Menary, FF3F.2, Rochester, United States of America, 17 Oct S. C. Napoli, P. Nolan, K. Olchanski, A. Olin, A. 2016-21 Oct 2016, published by OSA Publishing. Povilus, P. Pusa, F. Robicheaux, E. Sarid, D. M. A. Khalique and B. C. Sanders, “Long-distance Silveira, C. So, T. D. Tharp, R. I. Thompson, D. P. van quantum-key-distribution using concatenated der Werf, Z. Vendeiro, J. S. Wurtele, A. I. Zhmoginov entanglement swapping with practical resources”, and A. E. Charman, “Limit on the electric charge Proceedings of SPIE Quantum Communications and of antihydrogen”, Proceedings of 6th International XIV, San Diego, United States of Symposium on Symmetrics in Subatomic Physics America, 28 Aug 2016-29 Aug 2016, published by (SSP 2015) 238(9), pp: 1-9, Victoria, Canada, 8 SPIE Publications, Jun 2015-12 Jun 2015, published by Springer International Publishing Switzerland, December 2016. D. Miranda, C. L. Cesar, R. L. Sacramento, M. Ahmadi, P. Nolan, P. Pusa, M. Baquero-Ruiz, C. A. A. El-Zoka, J. Howe, R. C. Newman, S. Dogel, Carruth, A. E. Charman, L. T. Evans, J. Fajans, A. M. Reynolds, H. Hosseinkhannazer and D. D. Povilus, C. So, J. S. Wurtele, A. Zhmoginov, W. A. Perovic, “Understanding the coarsening behaviors Bertsche, E. Butler, A. Ishida, A. Capra, S. Menary, of nanoporous gold via in situ heating”, Proceedings M. Charlton, S. Eriksson, C. Isaac, S. Jones, N. of Microscopy and Microanalysis 2016 22(S3), pp: Madsen, D. Maxwell, M. Sameed, D. van der Werf, 1968-1969, Columbus, United States of America, 24 N. Evetts, A. Gutierrez, W. Hardy, T. Friesen, J. S. Jun 2016-28 Jun 2016. Hangst, C. O. Rasmussen, T. D. Tharp, M. Fujiwara, D. R. Gaur, A. Mudgal and R. R. Singh, D. Gill, L. Kurchaninov, J. Mckenna, J. M. Michan, “Approximation algorithms for cumulative VRP K. Olchanski, A. Olin, M. Hayden, J. J. Munich, S. with stochastic demands”, Proceedings of the Jonsell, T. Momose, F. Robicheaux, E. Sarid, and International Conference on Algorithms and Discrete R. I. Thompson, “Fundamental tests of physics with Applied Mathematics (CALDAM 2016), pp: 176-189, antihydrogen at ALPHA”, Page LTu3B.1, Proceedings Thiruvananthapuram, India, 18 Feb 2016-20 Feb of Latin America Optics and Photonics Conference 2016, published by Springer. 2016, Medellin, Colombia, 22 Aug 2016-26 Aug 2016. S. Hossain and N. H. Mithila, “Pattern graph for P. Palittapongarnpim, P. Wittek and B. C. Sanders, sparse Hessian matrix determination”, Proceedings “Controlling adaptive quantum phase estimation with of the 7th International Conference on Algorithmic scalable reinforcement learning”, Proceedings of 24th Differentiation 2016, pp: 78-81, Christ Church European Symposium on Artificial Neural Networks, Oxford, United Kingdom, 12 Sept 2016-15 Sept Computational Intelligence and Machine Learning 2016, published by Society for Industrial and Applied (ESANN 2016) pp: 327-332, Bruges, Belgium, 27 Apr Mathematics. 2016-29 Apr 2016. J. Howe, Y.-H. Chin, W. Tu, Y. Yang, J. Shangguan, S. P. Palittapongarnpim, P. Wittek and B. C. Sanders, Dogel, D. Hoyle, M. Reynolds, H. Hosseinkhannazer “Single-shot adaptive measurement for quantum- and D. Perovic, “Visualization of phase segregation enhanced metrology”, 99800H, Proceedings of SPIE and surface reconstruction of Pt-based bi-metallic Quantum Communications and Quantum Imaging cluster during In situ oxidation”, Proceedings of XIV, San Diego, United States of America, 28 Aug Microscopy and Microanalysis 2016 22(S3), pp: 2016-29 Aug 2016, published by SPIE Publications. 734-735, Columbus, United States of America, 24 Jun 2016-28 Jun 2016. P. Høyer and M. Komeili, “Efficient quantum walk on the grid with multiple marked elements”, Proceedings of 34th International Symposium on Theoretical Aspects of Computer Science 42: 1-14, Hannover, Germany, 8 Mar 2017-11Mar 2017, published by Dagstuhl.

2016/2017 ANNUAL REPORT 31 BOOKS AND CHAPTERS STUDENT THESES S. Abdelhamid, R. Benkoczi and H. S. Hassanein, M. R. Amin, “Sensing applications of nanomechanical “Vehicular clouds: ubiquitous computing on wheels”, resonators” (MSc Thesis), January 2017. section in book: Emergent Computation, B. Cao, “Materials development and architecture A. Adamatzky, eds, pp. 435–452, published by engineering for high efficiency organic solar cells” Springer International Publishing in 2017. (PhD Thesis), September 2016. P. Calaminici, A. Alvarez-Ibarra, D. Cruz-Olvera, V. D. C. J. Chandler, “Realistic models for polarons” (PhD Domínguez-Soria, R. Flores-Moreno, G. U. Gamboa, Thesis), November 2016. G. Geudtner, A. Goursot, D. Mejía-Rodríguez, D. R. Salahub, B. Zuniga-Gutierrez and A. M. Köster, C. Deshmukh, “Towards non-destructive detection of “Auxiliary density functional theory: from molecules photonic qubits using a rare-earth-ion doped crystal” to nanostructures”, section in book: Handbook (MSc Thesis), February 2017. of Computational Chemistry, J. Leszczynski, A. K. Deutsch, “Electronic and optical properties of Kaczmarek-Kedziera, T. Puzyn, M. G. Papadopoulos, functionalized silicon nanocrystals” (MSc Thesis), H. Reis, M. K. Shukla, eds. pp. 795–860, published April 2016. by Springer in 2017. C. Gonzalez, “The surface passivation and potential D. R. Gaur, S. Hossain and A. Saha, “Determining sensing applications of silicon nanocrystals” (PhD sparse Jacobian matrices using two-sided Thesis), September 2016. compression: An algorithm and lower bounds” A. Goswami, “Analysis of a deterministic entangled section in book: Mathematical and Computational photon pair source using single photons” (MSc Approaches in Advancing Modern Science and Thesis), September 2016. Engineering, J. Bélair, A. I. Frigaard, H. Kunze, R. Makarov, R. Melnik, J. R. Spiteri, eds. pp. 425–434, L. Hadidi, “Carbon-, gold- and iron-based published by Springer International Publishing in nanomaterials – synthesis, characterization and 2016. potential applications” (PhD Thesis), September 2016. M. Hasan, S. Hossain, A. I. Khan, N. H. Mithila, A. H. Suny, “DSJM: A software toolkit for direct M. A. Healey, “Computational study of α-synuclein determination of sparse Jacobian matrices”, section structure and druggability” (PhD Thesis), 2016. in book: Mathematical Software – ICMS 2016: T. Hrushevskyi, “Quantum gas apparatus for G-M Greuel, T. Koch, P. Paule, A. Sommese, eds. Bose-Einstein condensation of 87Rb” (MSc Thesis), pp. 275–283, published by Springer International January 2017. Publishing in 2016. B. Khanaliloo, “Optomechanical crystals in single A. de la Lande, F. Cailliez and D. R. Salahub, crystal diamond” (PhD Thesis), January 2017. “Electron transfer reactions in enzymes: Seven things that might break down in vanilla Marcus M. Khazali, “Applications of atomic ensembles theory and how to fix them if they do”, section in for photonic quantum information processing and book: Simulating Enzyme Reactivity: Computational fundamental tests of quantum physics” (PhD Thesis), Methods in Enzyme Catalysis, I. Tunon, V. Moliner, September 2016. eds., Chapter 4: pp. 89–149, published by Royal F. Liu, “Surface plasmon-assisted nanolithography on Society of Chemistry in 2016. silicon” (PhD Thesis), September 2016. M. A. Salem, M. Gedik and A. Brown, “Two-photon A. J. Marenco, “Origins of unconventional magnetism absorption in biological molecules, section in in coinage metal nanomaterials” (PhD Thesis), Handbook of Computational Chemistry, February 2017. J. Leszczynski, eds, pp.1–19, published by Springer A. Melnyk, “Fabrication of visible-range hollow in 2016. waveguides” (MSc Thesis), December 2016. N. H. Mithila, “On the determination of sparse Hessian matrices using multi-coloring” (MSc Thesis), December 2016.

32 QUANTUM ALBERTA R. L. Pavelich, “Calculation of bulk material electronic band structure using matrix mechanics: INTELLECTUAL A pedagogical approach” (MSc Thesis), September 2016. PROPERTY C. Potts, “Integrated devices for on-chip quantum T. W. Clements, C. Sarsons, P. Lai, E. J. Prenner, optics” (MSc Thesis), December 2016. B. Blasiak, B. Tomanek, K. D. Rinker and S. M. A. Salem, “Computational study of two photon Trudel, “Maltol-coated magnetite nanoparticles, absorption in fluorescent protein chromophores” compositions and methods comprising same”, (PhD Thesis), August 2016. patent: US20170014534 A1, January 2017. I. Seidu, “Excited-state studies with the constricted R. G. DeCorby, “Tapered waveguide coupler and Variational Density Functional Theory (CV-DFT) spectrometer”, patent: CA2653710, March 2017. method” (PhD Thesis), April 2016. S. M. Ibrahim Al-Rafia, T. C. Hauger, J. M. Buriak N. Sinclair, “Optical and signal and A. Tevtia, “Synthesis of new small molecules/ processing using a rare-earth-ion-doped waveguide” oligomers with high conductivity and absorption for (PhD Thesis), April 2016. optoelectronic application”, patent: US9444060 B2, September 2016. M. Sultana, “On the efficient determination of Hessain matrix sparsity structure – algorithm and data S. Trudel and C. Berlinguette, “Electrocatalytic materi- structures” (MSc Thesis), August 2016. als and methods for manufacturing same”, patent: US20160369410 A1, December 2016. A. H. Suny, “Coloring and degeneracy for determining very large and sparse derivative J. A. Tuszynski, J. Y. Mane, J. T. Huzil, B. Tomanek matrices” (MSc Thesis), December 2016. and D. Bartusik, “Colchicine derivatives, methods and uses thereof”, patent: US9458101 B2, October A. Tretiakov, “Versatile apparatus for ultracold atomic 2016. hybrid systems” (MSc Thesis), December 2016. J. A. Tuszynski, “Novel colchicine derivatives, J. Wood, “Silicon dangling bond chains” (MSc methods and uses thereof”, PCT/CA2010/001199, Thesis), November 2016. June 2016. M. Wu, “Nanophotonic optomechanical devices for J. Veinot, J. R. Rodriguez, P. Bianucci and A. torque magnetometry” (PhD Thesis), November 2016. Meldrum, “Method for depositing silicon nanocrystals F. Yang, “Far-field linear optical superresolution via in hollow fibers”, patent: US9452446 B2, September heterodyne detection in a higher-order local oscillator 2016. mode” (MSc Thesis), August 2016. B. Worfolk, Q. Chen and J. M. Buriak, “Methods for tailoring electrode work function using interfacial modifiers in organic electronics”, patent: US9431612 B2, August 2016.

2016/2017 ANNUAL REPORT 33 Theory and Many-Body Systems Meeting, Kyoto, INVITED Japan, 23 May–24 Jun 2016. 1 Jun 2016, J. G. C. Veinot, “Adventure in Si PRESENTATIONS nanocrystal surface chemistry … controlling optical properties and so much more”, 229th AT WORKSHOPS/ Electrochemical Society (ECS) Meeting, San Diego, United States of America, 29 May 2016–2 Jun 2016. CONFERENCES 7 Jun 2016, J. G. C. Veinot, “Silicon Nanocrystals: An 29 Apr 2016, G. Gour, “On local multiplicativity attractive non-toxic material for biological imaging … But we need to control and understand surface of the Lp norms of a quantum channel”, Alberta Mathematics Dialogue 2016, Calgary, Canada, 28 chemistry”, 99th Canadian Chemistry Conference Apr 2016–29 Apr 2016. and Exhibition, Halifax, Canada, 5 Jun 2016–9 Jun 2016. 4 May 2016, D. R. Salahub, “deMon quo vadis?”, deMon Developer Workshop, Zhengzhou, People’s 3 Jun 2016, M. Walton, “Adjoint affine fusion and Republic of China, 4 May 2016–7 May 2016. tadpoles”, Doppler Institute-CRM Workshop on the Occasion of 80th Birthdays of Jiri Patera and Pavel 4 May 2016, J. G. C. Veinot, “Exploration of Si Winternitz, Praque, Czech Republic, 30 May 2016–3 nanocrystal surface chemistry: Optical and electronic Jun 2016. properties and so much more”, Spring European Materials Research Society Meeting 2016, Lille, 5 Jun 2016, D. R. Salahub, “Beyond structure – France, 2 May 2016–6 May 2016. molybdenum carbide nanoparticles as catalysts for hydrogenation reactions - between clusters and the 13 May 2016, A. J. Mayer, D. Frekers, M. Wieser, bulk”, Canadian Society for Chemistry Symposium R. I. Thompson and J. Dilling, “Gleaning the ßß in Memory of Tom Ziegler, Halifax, Canada, 5 Jun decay half-life of 96Zr from billion year old zircons”, 2016–9 Jun 2016. 17th Annual Meeting of the APS Northwest Section, Penticton, Canada, 12 May 2016–14 May 2016. 5 Jun 2016, D. R. Salahub, “Humic and fulvic substances - beyond structure – a ReaxFF study”, 13 May 2016, W. Tittel, “Quantum networks: Merging Canadian Society for Chemistry Symposium in quantum communication and computation”, Quantum Honour of Benoit Roux, Halifax, Canada, 5 Jun Alberta Workshop 2016, Banff, Canada, 13 May 2016–9 Jun 2016. 2016. 7 Jun 2016, S. Trudel, “Water oxidation catalysis: 14 May 2016, L. J. LeBlanc, “Mimicking spin-orbit A new family of amorphous metal-oxide oxygen- coupling in ultracold quantum gases”, American evolution catalysts”, 99th Canadian Chemistry Physical Society Northwest Section Meeting, Conference and Exhibition, Halifax, Canada, 5 Jun Penticton, Canada, 13 May 2016–14 May 2016. 2016–9 Jun 2016. 23 May 2016, G. Gour, “Invariant polynomials in 7 Jun 2016, M. Wu, N. L.-Y. Wu, T. Firdous, J. E. multipartite entanglement”, Multipartite Entanglement Losby, F. F. Sani, M. R. Freeman and P. E. Barclay, Workshop, Benasque, Spain, 22 May 2016–27 May “Optomechanical torque magnetometry”, Conference 2016. on Lasers and Electro-Optics (CLEO:2016), San 25 May 2016, F. Hegmann, “Nanoscale imaging Jose, United States of America, 6 Jun 2016–10 Jun with terahertz scanning tunneling microscopy”, 2016. International Symposium on Advanced Spectroscopy 8 Jun 2016, F. Hegmann, “Nanoscale imaging with and Imaging with Nano-scale Resolution, 2016 terahertz pulses” (tutorial talk), Conference on Lasers Annual Meeting of the Spectroscopical Society of and Electro-Optics (CLEO 2016), San Jose, United Japan, University of Osaka, Japan, 24 May 2016–26 States of America, 6 Jun 2016–10 Jun 2016 May 2016. 9 Jun 2016, P. G. Kusalik, “Molecular simulations of 26 May 2016, D. L. Feder, “The power of crystallization: Past, present and future” (keynote), indistinguishable particles in quantum computation”, Multiscale Modelling of Materials and Molecules 2016 Yukawa Institute for Theoretical Physics Long Term (eSSENCE 2016), Uppsala, Sweden, 7 Jun 2016–9 Workshop 2016: Quantum Information in String Jun 2016.

34 QUANTUM ALBERTA 13 Jun 2016, F. Hegmann, “Nanoscale imaging with and in MCTDH”, Twenty-first ultrafast terahertz scanning tunneling microscopy” International Workshop on Quantum Systems (Plenary), 7th International Conference on Optical, in Chemistry, Physics, and Biology (QSCP-XXI), Optoelectronic and Photonic Materials and Vancouver, Canada, 2 Jul 2016–9 Jul 2016. Applications (ICOOPMA 2016), Montreal, Canada, 12 5 Jul 2016, D. R. Salahub, “Beyond structure – Jun 2016–17 Jun 2016. molybdenum carbide nanoparticles as catalysts for 19 Jun 2016, D. R. Salahub, “Towards multiscale hydrogenation reactions – between clusters and the modeling of (bio)catalysis”, International Conference bulk”, CECAM Workshop on Structure Prediction of on the Theoretical Aspects of Catalysis (ICTAC), Nanoclusters from Global Optimization Techniques: Zakopane, Poland, 9 Jun 2016–23 Jun 2016. Computational Strategies and Connection to 21 Jun 2016, Y. Shi, “Growth of crystalline metal Experiments, Pau, France, 5 Jul 2016–8 Jul 2016. carbides on the catalyst surface in hot wire chemical 8 Jul 2016, G. Gour, “The conditional uncertainty vapor deposition”, Collaborative Conference on 3D principle”, The Life and Science of Jacob & Materials Research (CC3DMR) 2016, Seoul, South D. Bekenstein: A Celebration of His Life and Korea, 24 Jun 2016–26 Jun 2016. Achievements in Science, Mitzpe Ramon, Israel, 3 Jul 22 Jun 2016, B. C. Sanders, “Precise space-time 2016–8 Jul 2016. positioning for entanglement harvesting”, Conference 10 Jul 2016, D. R. Salahub, “Multiscale modeling on Relativistic Quantum Information North of chemical reactions in complex environments”, (RQI-N2016), Waterloo, Canada, 21 Jun 2016–24 Jun CSTCC – Canadian Symposium on Theoretical and 2016. Computational Chemistry, Regina, Canada, 10 Jul 23 Jun 2016, A. Brown, “New phosphorescent 2016–15 Jul 2016. materials: Insights from computational chemistry”, 11 Jul 2016, A. E. Ulanov, I. A. Fedorov, A. A. Collaborative Conference on 3D & Materials Research Pushkina, D. Sychev, P. Grangier and A. I. Lvovsky, (CC3DMR) 2016, Seoul, South Korea, 24 Jun 2016–26 “Loss-tolerant N00N states and hybrid quantum Jun 2016. teleportation”, 25th Annual International Laser Physics 28 Jun 2016, F. Marsiglio, “Superconductivity in Workshop (LPHYS’16), Yerevan, Armenia, 11 Jul H2S and in other superconductors; many band 2016–15 Jul 2016. or band of many?”, Superstripes 2016 Physics in 12 Jul 2016, J. Maciejko, “Nematic order in fractional Quantum Matter: Superconductivity, Magnetism and quantum Hall liquids”, Workshop on Connecting Few- Ferroelectricity, Ischia, Italy, 23 Jun 2016–29 Jun Body and Many-body Pictures of Fractional Quantum 2016. Hall Physics”, Cambridge, United States of America, 27 Jun 2016, A. E. Ulanov, I. A. Fedorov, D. Sychev, 11 Jul 2016–13 Jul 2016. A. A. Pushkina, Y. Kurochkin, T. C. Ralph, P. Grangier 18 Jul 2016, A. I. Lvovsky, “Hybrid quantum optical and A. I. Lvovsky, “Two loss-tolerant protocols for technologies for communications and metrology”, quantum communications and metrology”, 23rd 6th International Conference Frontiers of Nonlinear Central European Workshop on Quantum Optics Physics (FNP 2016), Nizhny Novgorod, Russia, 17 Jul (CEWQO’16), Kolymabari, Greece, 27 Jun 2016–1 Jul 2016–23 Jul 2016. 2016. 19 Jul 2016, F. Hegmann, “Nanoscale imaging with 30 Jun 2016, G. Gour, “The conditional uncertainty terahertz scanning tunneling microscopy (THz-STM)”, principle”, 3rd Seefeld Workshop on Quantum OSA Advanced Photonics Congress 2016, Vancouver, Information, Seefeld, Austria, 26 Jun 2016–1 Jul 2016. Canada, 18 Jul 2016–20 Jul 2016. 30 Jun 2016, B. C. Sanders, “Accurate modelling of 21 Jul 2016, G. Gour, “Local additivity of minimum practical long-distance quantum and quantum key output entropies”, Beyond IID in Information Theory 4, distribution through multiple entanglement-swapping Barcelona, Spain, 18 Jul 2016–22 Jul 2016. stations”, Trustworthy Quantum Information 2016, 21 Jul 2016, Y. Shi, “Development of laser ionization Shanghai, People’s Republic of China, 27 Jun 2016–1 mass spectrometric methods and its application Jul 2016. to the investigation of chemical vapor deposition 4 Jul 2016, A. Brown and E. Pradhan, “Ground and chemistry”, The 2nd International Conference on excited states of HFCO: Potential energy fitting

2016/2017 ANNUAL REPORT 35 Current Trends in Mass Spectrometry, Chicago, 22 Sep 2016, R. A. Wolkow, “The role of multi-probe United States of America, 20 Jul 2016–22 Jul 2016. transport measurements in building atom scale 3 Aug 2016, M. Wu, N. L.-Y. Wu, T. Firdous, J. circuitry”, International Workshop: Charge Transport E. Losby, F. F. Sani, M. R. Freeman and P. E. at Surfaces and Nanostructures with Multi-probe, Barclay, “Optomechanical torque magnetometry”, Jülich, Germany, 21 Sep 2016–23 Sep 2016. International Conference on Optical MEMS and 27 Sep 2016, V. Jelic, “Ultrafast THz-STM of Si(111)- Nanophotonics (OMN 2016), Singapore, 31 Jul 7×7 with atomic resolution”, 41st International 2016–4 Aug 2016. Conference on Infrared, Millimeter and Terahertz 8 Aug 2016, B. C. Sanders, “Learning in quantum Waves (IRMMW-THz 2016), Copenhagen, Denmark, control: High-dimensional global optimization for 25 Sep 2016–30 Sep 2016. noisy quantum dynamics”, 3 Oct 2016, F. Hegmann, “Terahertz scanning Learning Conference, Perimeter Institute, Waterloo, tunneling microscopy: Past, present, and future”, Canada, 8 Aug 2016–12 Aug 2016. The Seventh International Symposium on Terahertz 19 Aug 2016, J. Maciejko, “Novel gapless Fermi Nanoscience (TeraNano 7), Porquerolles, France, 2 systems in topological materials” (review talk), Oct. 20162–8 Oct 2016. Conference on Quantum Criticality and Topology 18 Oct 2016, D. R. Salahub, “Multiscale modeling in Itinerant Electron Systems, Albuquerque, United of chemical reactions in complex environments”, States of America, 15 Aug 2016–19 Aug 2016. Symposium in Honour of the 70th Birthday of Pavel 24 Aug 2016, J. M. Buriak, “Neopatterning of Hobza, Prague, Czech Republic, 18 Oct 2016. semiconductor surfaces with self-assembling block 20 Oct 2016, R. Valivarthi, M. G. Puigibert, Q. Zhou, copolymers: Polymers and plasmonics”, ACS G. Aguilar, D. Oblak, V. Verma, F. Marsili, M. Shaw Publications Symposium: Innovation in Molecular and S. W. Nam, “Quantum teleportation across the Science, Beijing, People’s Republic of China, 23 Oct Calgary fibre network”, Frontier in Optics 2016, 2016–25 Oct 2016. Rochester, United States of America, 17 Oct 2016–21 24 Aug 2016, J. Maciejko, “Superconducting Oct 2016. quantum criticality of Dirac fermions” Low Energy 23 Oct 2016, A. I. Lvovsky, “Three ways to skin Challenges for High Energy Physicists II, Waterloo, an optical Schrödinger cat”, Quantum Optics VIII, Canada, 22 Aug 2016–26 Aug 2016. Maresias, Brazil, 23 Oct 2016–28 Oct 2016. 6 Sep 2016, Y. J. Shi, “Study of decomposition of 24 Oct 2016, J. M. Buriak, “Nanopatterning of methyl-substituted silane molecules on hot metal semiconductor surfaces with self-assembling block surfaces and in the gas phase”, The 9th International copolymers: Polymers and plasmonics”, ACS Conference on Hot Wire (Cat) and Initiated Chemical Publications Symposium: Innovation in Molecular Vapor Deposition (HWCVD 9), Philadelphia, United Sciences, Beijing, People’s Republic of China, 23 Oct States of America, 6 Sep 2016–9 Sep 2016. 2016–25 Oct 2016. 6 Sep 2016, R. A. Wolkow, “Building atom scale 31 Oct 2016, J. M. Buriak, “The role(s) of interfaces in circuitry”, Trends in Nanotechnology International organic photovoltaics”, KAUST Research Conference Conference (TNT2016), Fribourg, Switzerland, 5 Sep 2016: Emerging Concepts and Materials in Solar 2016–9 Sep 2016. Energy Conversion, Thuwal, Saudi Arabia, 31 Oct 8 Sep 2016, J. G. C. Veinot, “Nanocrystal synthesis, 2016–2 Nov 2016. surface chemistry, and applications”, European 10 Nov 2016, D. R. Salahub, “Multiscale modeling Physical Society: Condensed Matter Conference of chemical reactions in complex environments”, (CMD26), Groningen, the Netherlands, 4 Sep 2016–9 Symposium on Physical Chemistry for Energy and Sep 2016. Medicine Research (American Chemical Society 15 Sep 2016, F. Marsiglio, “Dynamic Hubbard model Southwest Regional Meeting), Galveston, United States of America, 10 Nov 2016–13 Nov 2016. and superconductivity in H2S”, 11th International Conference on New Theories, Discoveries, 14 Nov 2016, B. C. Sanders, “Spacetime replication Applications of Superconductors and Related of continuous-variable quantum information”, Materials (Nes3SC-11), Bled, Slovenia, 11 Sep Conference on Coherent States and their 2016–16 Sep 2016.

36 QUANTUM ALBERTA Applications: A Contemporary Panorama, Marseille, 21 Feb 2017, P. E. Barclay, “Nanophotonic France, 14 Nov 2016–18 Nov 2016. optomechanical devices: Towards coupling photons, 3 Dec 2016, G. Gour, “Semidefinite programming phonons and spins”, Spin Mechanics 4, Fairmont and quantum resource theories”, 2016 CMS Winter Château Lake Louise, Canada, 20 Feb 2017–25 Feb Meeting, Niagara Falls, Canada, 2 Dec 2016–5 Dec 2017. 2016. 23 Feb 2017, J. P. Davis, “Cavity-optomechanical 7 Dec 2016, J. M. Buriak, “Nanoscience lives here: torque sensors”, Spin Mechanics 4, Banff, Canada, Molecules, materials, & mechanisms” (plenary), 20 Feb 2017–25 Feb 2017. Chemistry as Innovating Science (CHAINS) 2016, 7 Mar 2017, D. R. Salahub, “Beyond structure – Veldhoven, the Netherlands, 6 Dec 2016–7 Dec 2016. molybdenum carbide nanoparticles as catalysts for 20 Dec 2016, B. C. Sanders, “Spacetime replication hydrogenation reactions – between clusters and of continuous-variable quantum information”, The the bulk”, Intel Symposium on High-Performance First International Conference on Topological Orders Computing, Shanghai, People’s Republic of China, 7 and Emergent Spacetime on Quantum Simulators, Mar 2017. Fudan University, People’s Republic of China, 19 Dec 18 Mar 2017, B. C. Sanders, “Machine learning for 2016–23 Dec 2016. hard quantum control”, 12ème Colloque National de 5 Jan 2017, B. C. Sanders, “Multiphoton multichannel Recherche en Physique, Hammanet, Tunisie, 18 Mar interferometry for quantum information processing”, 2017–21 Mar 2017. 2017 Zhejiang University Workshop on Tensor 21 Mar 2017, J. Maciejko, “Superconducting Networks and Related Topics in Quantum Information quantum criticality on the surface of 3D Tis”, Theory, Hangzhou, People’s Republic of China, 4 Jan Conference on Topological States of Matter”, Natal, 2017–7 Jan 2017. Brazil, 21 Mar 2017–28 Mar 2017. 11 Jan 2017, R. A. Wolkow, “Toward atom scale ultra- low power classical circuitry and quantum circuitry”, Workshop on Simulation and Modeling of Emerging Electronics, Hong Kong, People’s Republic of China, 11 Jun 2016–13 Jun 2016. 12 Jan 2017, F. Yang, A. Tashchilina, E. S. Moiseev, C. Simon and A. I. Lvovsky, “Super-resolution microscopy utilizing heterodyne detection”, The 47th Winter Colloquium on the Physics of Quantum Electronics (PQE 2017), Snowbird, United States of America, 8 Jan 2017–13 Jan 2017. 29 Jan 2017, D. R. Salahub, “Towards multiscale modeling of chemical reactions in complex environments – overview of the Salahub lab activities”, 8th Kananaskis Symposium on Molecular Simulation, Kananaskis, Canada, 29 Jan 2017–31 Jan 2017. 2 Feb 2017, W. Tittel,”Rare-earth-doped crystals for quantum communications: How to store, and detect, a photon”, SPIE Photonics West, San Francisco, United States of America, 28 Jan 2017–2 Feb 2017. 5 Feb 2017, F. Hegmann, “Advances in terahertz scanning probe microscopy”, Third International Workshop on Terahertz Technology (IWOTT 2017), Salt Lake City, United States of America, 3 Feb 2017–6 Feb 2017.

2016/2017 ANNUAL REPORT 37 Indian Institute of Science Education and Research – Mohali, India LINKAGE Indian Instiute of Tehcnology – Guwahati, India Institute of Science and Technology Austria Institute for Research in Fundamental Sciences (IPM), Tehran, Iran Institut Charles Gerhardt (CNRS), France Institut d’Optique, France Istituto di Fotonica e Nanotecnologie (IFN-CNR), Italy Istituto Italiano di Tecnologia, Italy Jacobs University, Germany Jilin University, People’s Republic of China Koç University, Turkey KTH Royal Institute of Technology, Sweden Kuwait University, Kuwait Kyoto University, Japan Laboratoire de Chimie Physique (CNRS), France Marquette University, United States of America Massachusetts Institute of Technology, United States of America Max Planck Institute for Structure and Dynamics of Matter, Germany COLLABORATIONS Max Planck Institute for Solid State Physics, Germany Montana State University, United States of America INTERNATIONAL INSTITUTIONS Moscow Institute of Physics and Technology, Russia Nagoya University, Japan Aarhus University, Denmark National Institutes of Health, United States of America Albert Ludwigs University of Freiburg, Germany National Institute for Standards and Technology, Argonne National Laboratory, United States of United States of America America National University of Defense Technology, People’s Bahcesehir University, Turkey Republic of China Beijing University of Posts and Telecommunications, National University of Sciences and Technology, People’s Republic of China Pakistan Benha University, Egypt Oswaldo Cruz Institute, Brazil Ben-Gurion University of the Negev, Israel P. N. Lebedev Physical Institute of the Russian California Institute of Technology, United States of Academy of Sciences, Russia America Politecnico di Milano, Italy Charles University, Czech Republic Princeton University, United States of America Chinese Academy of Science’s Institute of Geology Public Authority for Applied Education and Training, and Geophysics, People’s Republic of China Kuwait Chinese Academy of Science’s Institute for Coal Purdue University, United States of America Research, People’s Republic of China Ruprecht-Karls-Universität, Germany Chinese University of Hong Kong, People’s Republic Shanghai Jiao Tong University, People’s Republic of of China China Clarkson University, United States of America Southern Illinois University, United States of America Czech Academy of Sciences, Czech Republic Stanford University, United States of America Czech Technical University, Czech Republic Stockholm University, Sweden Durham University, United Kingdom Swansea University, United Kingdom École Polytechnique Fedérale de Lausanne, Szeged University, Hungary Switzerland Technical University of Denmark, Denmark European Organization for Nuclear Research (CERN), Technische Universität Munchen, Germany Switzerland The Hebrew University of Jerusalem, Israel Fudan University, People’s Republic of China The Russian Quantum Center, Russia Harvard University, United States of America

38 QUANTUM ALBERTA Tuffs University, United States of America Weizmann Institute of Science, Israel Tyndall National Institute, Ireland Worcester Polytechnic Institute, United States of Universität Göttingen, Germany America Universität Heidelberg, Germany Zhejiang University, People’s Republic of China Universität Regensburg, Germany Université de Pau et des Pays de I’Adour, France Université Catholique de Louvain, Belgium NATIONAL INSTITUTIONS Universidade Estadual de Maringá, Brazil Universidade Federal de Mato Grosso, Brazil Canadian Institute for Advanced Research Universidade Federal do Rio de Janeiro, Brazil Concordia University of Edmonton Universidade Federal de Sergipe, Brazil McGill University Universidad de Valparaiso, Chile McMaster University Universitá della Calabria, Italy National Institute for Nanotechnology Universitá di Pisa, Italy National Research Council of Canada, Ottawa University of Adelaide, Australia Perimeter Institute for Theoretical Physics University of Alabama, United States of America Queen’s University University of Borås, Sweden Trent University University College Dublin, Ireland TRIUMF University of California at Berkeley, United States of University of British Columbia America University of Montreal University of California at Davis, United States of University of Northern British Columbia America University of Saskatchewan University of California at San Diego, United States of University of Toronto America University of Victoria University of Electronic Science and Technology, University of Waterloo People’s Republic of China University of Winnipeg University of Havana, Cuba York University University of Illinois at Urbana-Champaign, United States of America INDUSTRIAL & GOVERNMENT University of Manchester, United Kingdom BBN Raytheon Technologies University of Liverpool, United Kingdom Boreal Laser University of Leipzig, Germany KLA-Tencor University of Manchester, United Kingdom Mass General Hospital University of Miami, United States of America NASA Jet Propulsion Laboratory University of Michigan, United States of America Sandia National Labs University of Minas Gerais, Brazil University of New South Wales, Australia University of Notre Dame, United States of America University of Oxford, United Kingdom University of Queensland, Australia University of Science and Technology of China, People’s Republic of China University of South Australia, Australia University of Tabriz, Iran University of Texas at Austin, United States of America University of Texas Health Sciences Center at San Antonio, United States of America University of Tokyo, Japan University of Wisconsin at Madison, United States of America University of Wisconsin at Millwaukee, United States of America University of York, United Kingdom Warsaw University of Technology, Poland

2016/2017 ANNUAL REPORT 39 VISITORS NAME INSTITUTION NAME INSTITUTION Antoine Aerts Université libre de Bruxelles Marco Lepre Politecnico de Torino Hessa Alotaibi Public Authority for Applied Arturo Lezama Universidad de la República, Education and Training, Uruguay Kuwait Xiaohong Li Henan University of Science Gustavo Amaral Pontifical Catholic University and Technology of Rio de Janeiro Guilhem Madiot Université Paris-Sud Mohammad Amin D-Wave Systems Barun Majumder Indian Institute of Technology, Simon Apers Ghent University Gandhinagar Andrew Cameron University of Prince Edward Josh Mutus Google Island Matthew Posner University of Southampton Li Chen Hefei University of Liang Qiu China University of Mining Technology and Technology Paul Corkum University of Ottawa Dongxiao Quan Xidian University Dan Dalacu National Research Council of Arun Rajendran Indian Institute of Technology, Canada Madras Timothy Duty University of New South Mark Saffman University of Wisconsin at Wales Madison Matthew Fisher University of California at Yuval Sanders Macquarie University Santa Barbara Rishabh Skukla Indian Institute of Technology, Greg Gabrenya D-Wave Systems Guwahati Mercedes Gimeno- University of Bristol Alp Sipahigil Harvard University Segovia Michail Skoteiniotis Universitat Autònoma de Eduardo Guendelman Ben Gurion University Barcelona Yu Guo Shanxi Datong University Hennie Snyman Nelson Mandela Metropolitan Lizandra Barrios Herrera Instituto Superior de University Tecnologias y Ciencias Wanjun Su Fuzhou University Aplicadas, Cuba Xinxin Tang University of Science and Loïc Herviou École Polytechnique Technology of China Garrett Hickman University of Maryland Hailin Wang University of Oregon Jeremy Hilton D-Wave Systems John Washington Concordia University of Jorge Eduardo Kirsch University of California at Edmonton San Diego Nathan Wiebe Microsoft Research Scott Hopkins University of Waterloo Colin Williams D-Wave Systems Said Jalife Jacobo Centro de investigacion Haider Zia University of Electronic y de estudios avanzados Science and Technology of (Cinvestav) China David Jennings Imperial College London Haimin Zheng China University of Petroleum Ebrahim Karimi University of Ottawa Andew King D-Wave Systems Junko Kiriyama- University of Electro- Taniguichi Communications, Japan Harish Kugel University of British Columbia Gabor Kunstatter University of Winnipeg

40 QUANTUM ALBERTA GRADUATE COURSES

COURSE NAME INSTRUCTOR DESCRIPTION UNIVERSITY OF ALBERTA ECE770 R. G. DeCorby Fundamental aspects of the physics of light: waves, beams and Optics for Microsystems polarization, optical materials and interfaces, coherence and interference. Interferometers, resonant cavities, multilayers and interference filters. Reflective, refractive, and diffractive micro-optics: micro-mirrors and micro-lenses. Guided-wave optics: dielectric waveguides and components. Advanced topics and applications: micro-optics in lab-on-a-chip and micro-electromechanical systems, photonic crystals, plasmonics and metamaterials. PHYS541 J. Maciejko Crystal structure and symmetries; electrons and band structure; Condensed Matter semiconductors and heterostructures; lattice vibrations and thermal Physics I properties

CHEM544/444 J. G. Veinot Introduction to techniques in determining the composition and Characterization structure of materials on the nanometer scale. Characterization of Methods in Nanoscience atomic, meso-, and microstructure of materials including impurities and defects. Major topics will include electron microscopy (transmission, scanning, and Auger) and associated spectroscopies (EDX, EELS), surface sensitive spectroscopies (e.g., XPS, AES, IR) and spectrometry (SIMS), synchrotron techniques, X-ray absorption, fluorescence and emission, and scanned probe microscopies (AFM, STM, etc.). The techniques will be examined through real-world nanotechnology case studies. PHYS595/495 R. Wolkow A broad range of topics will be studied in order gain an Physical Principles understanding of the principles and tools that we can deploy to Nanotechnology create revolutionary . Simultaneously, we will consider the state of the art of some current technologies in order to appreciate what might constitute a viable and lucrative new technology. No textbook is assigned. Lessons and readings are pulled from diverse and often primary sources. Truly state of the art methods and results will be covered in numerous of the areas examined.

2016/2017 ANNUAL REPORT 41 COURSE NAME INSTRUCTOR DESCRIPTION UNIVERSITY OF CALGARY CHEM689 P. G. Kusalik In this introduction to statistical mechanics we will explore the basis Molecular Driving from which to understand molecular driving forces. We will also Forces examine how this formalism is applied within computer simulations of liquids, solids and solutions. The emphasis will be on physical models and interpretations, with applications to systems of chemical and biochemical interest. Selected topics from the recent literature will also be included. We will closely follow the required text, Molecular Driving Forces by Dill and Bromberg CHEM689 D. R. Salahub The course will build on a basic knowledge of classical and quantum Modeling Multiscale mechanics to explore modern methods of simulating complex Systems systems in chemistry, physics, biology and materials science. The student will acquire an understanding of the main approaches in quantum chemistry, molecular dynamics and the kinetics of coupled systems of chemical equations (e.g. the Kinetic Monte Carlo method). Hands-on experience with some of the techniques will be obtained and the student will be able to taylor the applications to his or her areas of interest, for example, heterogeneous, homogeneous or enzymatic catalysis, genetic regulatory networks, integrated nano-systems, etc. PHYS507 P. E. Barlcay Crystal structure. Classification of solids and their bonding. Fermi Solid State Physics surface. Elastic, electric and magnetic properties of solids. PHYS615 D. Feder Formalism of quantum mechanics. Entangled systems and their Advanced Quantum applications. , Einstein-Podolsky-Rosen Mechanics paradox, Bell theorem. Interpretations of quantum mechanics. Second quantization. Quantum theory of the electromagnetic field. Addition of angular momenta, Clebsch-Gordan coefficients, Wigner- Eckart theorem. PHYS543 N. Moazzen- Theory of angular momentum and applications, perturbation theory Quantum Mechanics II Ahmadi and applications. Identical particles. Introduction to relativistic wave equations. PHYS677 B. C. Sanders Proposals and realizations of quantum information tasks including Implementations of quantum computation, quantum communication, and quantum Quantum Information cryptography in optical, atomic, molecular, and solid-state systems. UNIVERSITY OF LETHBRIDGE PHYS5300 S. Das & Advanced topics in theoretical physics relevant to current research. Theoretical Physics I M. Walton (instructor of two modules) PHYS7300 S. Das Advanced topics in theoretical physics relevant to current research. Theoretical Physics I (instructor of one module)

42 QUANTUM ALBERTA SERVICES AND OUTREACH

CONFERENCES/WORKSHOPS

MEMBERS COMMITTEE CONFERENCE/WORKSHOP LOCATION DATES A. Brown Chair, Physical, 101st Canadian Chemistry Edmonton, 27–31 May 2018 Theoretical, and Conference and Exhibition Canada Computational Chemistry Program J. Buriak Organizer ACS Publications Symposium: Beijing, People’s 23–25 Oct 2016 Innovations in Molecular Science Republic of China J. Maciejko Co-organizer Workshop on Geometrical Degrees Banff, Canada 21–26 Aug 2016 of Freedom in Topological Phases A. Meldrum Co-organizer 2016 Annual Meeting of the Edmonton, 7–10 Jun 2016 Microscopical Society of Canada Canada PROFESSIONAL SERVICES NAME ROLE JOURNAL/SOIECTY/INSTITUTION P. E. Barclay Chair, Division of Atomic, Molecular and Canadian Association of Physicists Optical Physics P. E. Barclay Associate Editor Optics Express A. Brown Secretary-Treasurer Canadian Association of Theoretical Chemists J. Buriak Member, Editorial Board ACS Nano J. Buriak Member, Editorial Board Advanced Materials J. Buriak Editor-in-Chief Chemistry of Materials S. Das Member, Editorial Board Heliyon Journal S. Das Member, Editorial Board Journal of Fundamental and Applied Sciences

2016/2017 ANNUAL REPORT 43 NAME ROLE JOURNAL/SOIECTY/INSTITUTION S.Hossain Secretary Canadian Operations Research Society Calgary Chapter P. G. Kusalik Chair, Chemistry/Biochemistry Resource Compute Canada Allocation Committee L. LeBlanc Secretary, Division of Atomic, Molecular and Canadian Association of Physicists Optical Physics A. I. Lvovsky Member, International Advisory Board Journal of Physics B A. I. Lvovsky Member, NSERC Strategic Partnership Grants Natural Sciences and Engineering Research for Projects, Information and Communication Council of Canada Selection Panel A. I. Lvovsky Deputy Editor Optics Express A. Meldrum Member, Advisory Board Biomimicry Alberta A. Meldrum Co-Editor Journal of Sensors (Special Issue) A. Meldrum Reviewer Natural Sciences and Engineering Research Council of Canada K. Michaelian Chair, Division of Instrumentation and Canadian Association of Physicists Measurement Physics S. Noskov Associate Editor BBA-Biomembranes S. Noskov Associate Editor BMC Pharmacology and Toxicology S. Noskov Volume Editor Current Topics in Membrane Science S. Noskov Member, Editorial Board European Journal of Biophysics S. Noskov Review Editor Frontiers in Pharmacology S. Noskov Member, ANTON Allocation Committee National Academy of Sciences (NAS-USA) D. R. Salahub Member, Editorial Board Advances in Physical Chemistry D. R. Salahub Member, Editorial Board Advances in Quantum Chemistry D. R. Salahub Member, Editorial Board Computation D. R. Salahub Vice Chair, Editorial Board Interdisciplinary Science: Computational Life Sciences D. R. Salahub Member, Editorial Board Journal of Computational Chemistry D. R. Salahub Member, Academic Editorial Board PLOS-One B. C. Sanders Member, Editorial Board IOP eBooksTM B. C. Sanders Chair, Steering Committee Quantum Africa Conference Series B. C. Sanders Editor-in-Chief New Journal of Physics Y. J. Shi Associate Editor Canadian Journal of Chemistry R. I. Thompson Director, Student Affairs Canadian Association of Physicists R. I. Thompson Member, Editorial Board Physics in Canada R. I. Thompson University of Calgary Representative, TRIUMF National Laboratory Board of Management R. I. Thompson General Faculties Council, Board of University of Calgary Governors R. I. Thompson Chair, Graduate College Steering Committee University of Calgary W. Tittel Member, Editorial Board Quantum Science and Technology

44 QUANTUM ALBERTA NAME ROLE JOURNAL/SOIECTY/INSTITUTION S. Trudel Chair, Materials Chemistry Division Chemical Institute of Canada J. G. Veinot Associate Editor Canadian Journal of Chemistry J. G. Veinot Research Ambassador DAAD Akademischer Austausch Dienst J. G. Veinot Ambassador Technische Universität Munchen

QUANTUM PUBLIC OUTREACH LECTURES 10 May 2016, D. R. Salahub, “50 years of trying to LECTURE understand natural and life sciences – learning from The Quantum Public Lectures serve to convey giants”, Faculty of Science, Henan University of leading breakthroughs in quantum science and Technology, People’s Republic of China (lecture to technology to the general public. The public appetite 250 undergraduate). is indeed high for learning the latest advances in 23 Aug 2016, B. C. Sanders, “Building a quantum the quantum world. Professor Paul Corkum from computer”, Russian Quantum Center Summer School University of Ottawa delivered a public lecture titled 2016, Moscow, Russia, 22 Aug 2016–27 Aug 2016. “A molecule takes a selfie while creating the world’s 19 Nov 2016, P. E. Barclay, “From engineering to shortest light pulses” to about 200 persons on 24 physics: adventures in STEM,” Ignite 2016: Science November 2016, and this event was supported by Expo Alberta Conference, Calgary. the Faculty of Science Alumni Relations team as a joint outreach effort. The lecture was broadcast by 24 Nov 2016, P. E. Barclay, “ for interactive video to the University of Lethbridge. This fun, profit, and discovery,” Wild Rose Brewery Nerd public lecture is Quantum Alberta’s main province- Nite Calgary. wide outreach activity. 7 Feb 2017, D. R. Salahub, “Computational chemistry at work in the oil sands”, Sir Winston Churchill High School (Chemistry Club), Calgary. 16 Feb 2017, D. Oblak, R. Valivarthi, Q. Zhou, M. Grimau Puigibert, G. H. Aguilar and W. Tittel, “Quantum teleportation - What it is, what it’s not, and what it’s good for!”, Calgary Nerdnite Psi, Calgary, Canada. 21 Feb 2017, W. Tittel, “Well connected”, PetchaKucha Night, Calgary, Canada. 25 Mar 2017, N. Sinclair, “Quantum technology- putting the weird to work”, University of Calgary, Rothney Astrophysical Observatory (public lecture). 29 Mar 2017, D. R. Salahub, “50 years of trying to understand natural and life sciences – learning from giants”, Henan University of Technology, People’s Republic of China (lecture to 250 graduate students).

2016/2017 ANNUAL REPORT 45 MEDIA COVERAGE

SOURCE TITLE OF ARTICLE DATE Maclean’s Trudeau versus the experts: Quantum computing in 35 seconds: Barry C. 19 Apr 2016 Sanders CBC News The debate over preserving Calgary’s architectural heritage: Barry C. 15 May 2016 Sanders Physicsworld. The June 2016 issue of Physics World is now out: Barry C. Sanders 1 Jun 2016 com Eureka Alert Russian physicists create a high-precision “quantum ruler”: Alex Lvovsky 23 Jun 2016 Science Daily Physicists create a high-precision “quantum ruler”: Alex Lvovsky 23 Jun 2016 TASS.com Russian physicists create highly precise “quantum ruler”: Alex Lvovsky 23 Jun 2016 UToday Physicist exploring new ways to think about science and how to teach it: 8 Jul 2016 Barry C. Sanders Lenta.ru Environmentalists described the quantum tunnels in the human brain: 19 Jul 2016 Christoph Simon, Paul Barclay РИА Новости Scientists spoke about the quantum tunnels in the human brain: Christoph 20 Jul 2016 Simon, Paul Barclay

Capital TV Dr. Barry Sanders’ public lecture on Dr. Abdus Salam: Barry C. Sanders 30 Jul 2016 Daily Jehan-e- Habib University hosts Dr. Barry Sanders’ public lecture: Barry C. Sanders 30 Jul 2016 Pakistan Daily Ausaf Habib University hosts Dr. Barry Sanders’ public lecture: Barry C. Sanders 30 Jul 2016 Daily Jang Habib University hosts four-day quantum information summer school: Barry 30 Jul 2016 C. Sanders Newa-e-Waqt Habib University hosts four-day quantum information summer school: Barry 30 Jul 2016 C. Sanders Pakistanblogs. Habib University hosts QISS, aims for development of a national 30 Jul 2016 com collaboration in Pakistan: Barry C. Sanders thenews.com.pk Physicists laud Dr. Abdus Salam’s contributions: Barry C. Sanders 31 Jul 2016 Pakobserver.net Habib University hosts Summer School: Barry C. Sanders 5 Aug 2016 pstimes.com Habib University hosts QISS, aims for development of a national 5 Aug 2016 collaboration in Pakistan: Barry C. Sanders CTV Canadian researchers lead the way towards unhackable internet 19 Sep 2016 communication: Wolfgang Tittel Mail on Sunday Quantum teleportation breakthrough as scientists send data across cities 19 Sep 2016 – and it could lead to UNBREAKABLE encryption for computer networks: Wolfgang Tittel BBC Teleportation step toward quantum internet: Wolfgang Tittel 20 Sep 2016 Calgary Herald University of Calgary manages to teleport photons, paving way for quantum 20 Sep 2016 Internet: Wolfgang Tittel

46 QUANTUM ALBERTA Calgary Sun How Calgary researchers solved a quantum conundrum using city hall and 20 Sep 2016 a photon: Wolfgang Tittel CBC Calgary Teleportation across Calgary marks “major step” toward creation of 20 Sep 2016 “quantum internet”: Wolfgang Tittel Metronews.ca U of C researcher teleports photons across Calgary: Wolfgang Tittel 20 Sep 2016 Motherboard Scientists set a new distance record for quantum teleportation: Wolfgang 20 Sep 2016 Tittel The Christian Could quantum teleportation help ensure online privacy?: Wolfgang Tittel 20 Sep 2016 Science Monitor

UToday Beam me up Scotty! Researchers teleport particle of light six kilometres: 20 Sep 2016 Wolfgang Tittel UToday University of Calgary physicists create nano-sized device with huge 20 Sep 2016 potential in field of quantum computing: Paul Barclay CBC Calgary Jenny Howe gets to the bottom of teleportation: Wolfgang Tittel 21 Sep 2016 Homestretch Global TV Why teleportation could one day be a reality: Wolfgang Tittel 22 Sep 2016 The Loop Moving around of information: Wolfgang Tittel 22 Sep 2016 CBC Radio: Quantum teleportation: Wolfgang Tittel 24 Sep 2016 Quirks and Quarks Matter News Quantum teleportation: It’s being in two places at once. Really: Wolfgang 24 Sep 2016 Tittel CIFAR New distance record for quantum teleportation: Wolfgang Tittel 7 Oct 2016 UofA Faculty of Less is more when it comes to atomic-scale manufacturing: Robert Wolkow 28 Oct 2016 Science News UToday 2016 Killam Scholars and award winners celebrated at annual reception: 28 Oct 2016 Barry C. Sanders The Globe and Tiny Alberta-made sensor may open door to hand-held drug tests: Paul 31 Oct 2016 Mail Barclay, Mark Freeman UToday PhD grad aims to take the mystery out of quantum science: Neil Sinclair, 14 Nov 2016 Wolfgang Tittel, Barry C. Sanders National Post Does the mind use fibre optics? Calgary team floats “out-there” theory of 20 Nov 2016 light communication in the brain: Christoph Simon Calgary Herald Does the mind use fibre optics? Calgary team floats “out-there” theory of 21 Nov 2016 light communication in the brain: Christoph Simon Newstlak770 Fibre optics and the brain: Christoph Simon 21 Nov 2016 UToday A molecule takes a selfie: Paul Corkum 24 Nov 2016 Youtube: Brain optics, THz identification of cancer DNA, and “hairy” black holes: 1 Dec 2016 SciHerald Christoph Simon, Paul Barclay, Sourabh Kumar The Wall Street After 1,000 year slumber, China vows to invent again: Barry. C. Sanders 6 Dec 2016 Journal UToday Researchers explore the possibility of a “fibre optic network” in the brain: 7 Dec 2016 Christoph Simon The Globe and Canadians solve key puzzle for future of encryption: Wolfgang Tittel 20 Dec 2016 Mail

2016/2017 ANNUAL REPORT 47 UToday Top research stories of 2016: Teleportation, bear attacks, and an app for 23 Dec 2016 people with celiac disease: Wolfgang Tittel UofA Faculty of Physicists solve decades-old scientific mystery: Robert Wolkow 5 Jan 2017 Science News UofA Faculty of What’s cooler than being cool?: Lindsay LeBlanc 25 Jan 2017 Science News UToday International research team shines light on mystery of antimatter: Rob 3 Feb 2017 Thompson, Andrew Evans UToday UCalgary researchers awarded NSERC Strategic Partnership Grants for 15 Feb 2017 high-priority impacts: Paul Barclay Nanowerk New window into the nanoworld: Frank Hegmann 21 Feb 2017 Phys.Org Scientists combine the ultra-fast with the ultra-small to pioneer microscopy 21 Feb 2017 at terahertz frequencies: Frank Hegmann Science Daily New window into the nanoworld: Frank Hegmann 21 Feb 2017 ChemEurope. New window into the nanoworld: Frank Hegmann 22 Feb 2017 com Space Daily Combining the ultrafast with the ultrasmall: Frank Hegmann 22 Feb 2017 Physicsworld. Block copolymers form moiré superstructures: Jillian Buriak 17 Mar 2017 com ScienceNews Millions of atoms entangled in record-breaking quantum tests: Christoph 27 Mar 2017 Simon, Wolfgang Tittel UToday Project expands research collaborations in Pan-Africa, Pakistan and Peru: 29 Mar 2017 Barry. C. Sanders

48 QUANTUM ALBERTA Provincial Funding [29.21%]

National TRAINEE Funding [69.35%] International Funding DESTINATIONS[ 1.44%]

25

20

15

10

5

0 Academia Industry Other

University of Alberta [.13%] University of Lethbridge [.64%] Other Grants [1.44%] Canadian Institutes of Health Research [1.49%] Alberta Innovates Technology Futures (AITF) [12.16%]

Canada Foundation for Innovation [15.34%] Natural Sciences and 2016/2017 ANNUAL REPORT 49 Engineering Research Council of Canada [36.05%] Canadian Institute for Advanced Research [1.39%]

Canada Research Chair [7.27%]

National Research Compute Canada [5.71%] Council Canada [2.1%] Industry [3.05%] Government of Alberta [13.23%] Provincial Funding [29.21%]

National Funding [69.35%] International Funding [ 1.44%]

25

20

15

10

5 RESEARCH 0 GRANTSAcademia Industry Other

(unaudited)

BY FUNDING AGENCY University of Alberta [.13%] University of Lethbridge [.64%] Other Grants [1.44%] Canadian Institutes of Health Research [1.49%] Alberta Innovates Technology Futures (AITF) [12.16%]

Canada Foundation for Innovation [15.34%] Natural Sciences and Engineering Research Council of Canada [36.05%] Canadian Institute for Advanced Research [1.39%]

Canada Research Chair [7.27%]

National Research Compute Canada [5.71%] Council Canada [2.1%] Industry [3.05%] Government of Alberta [13.23%] BY REGION

Provincial Funding [29.21%]

National Funding [69.35%] International Funding [ 1.44%]

50 QUANTUM ALBERTA

25

20

15

10

5

0 Academia Industry Other

University of Alberta [.13%] University of Lethbridge [.64%] Other Grants [1.44%] Canadian Institutes of Health Research [1.49%] Alberta Innovates Technology Futures (AITF) [12.16%]

Canada Foundation for Innovation [15.34%] Natural Sciences and Engineering Research Council of Canada [36.05%] Canadian Institute for Advanced Research [1.39%]

Canada Research Chair [7.27%]

National Research Compute Canada [5.71%] Council Canada [2.1%] Industry [3.05%] Government of Alberta [13.23%] OBJECTIVES FOR NEXT YEAR

PAUL BARCLAY ƒƒ Apply acoustic emission and high-speed stress ƒƒ Demonstrate optomechanically induced measurements to understand the microscopic transparency in a diamond device. nature of plastic flow in solid helium, particularly the dislocation avalanches that occur at ƒƒ Demonstration of optomechanical control of temperatures below 0.5 K. diamond spins. ƒƒ Measure the low-temperature behaviour ƒƒ Evaluation of the possibility of observing room (dielectric and piezoelectric constants, creep temperature quantum effects in diamond and hysteresis) of technological materials used optomechanical devices. for cryogenic positioning in scanning tunnelling ƒƒ Demonstration of doubly resonant photon down- microscopy and other applications. conversion from 780 nm band to the 1550nm band using a microcavity. ROBERT BENKOCZI & DAYA GAUR ƒƒ Implant and characterize spectral properties of ƒƒ Simulate adiabatic quantum computations. SiV defects in diamond chips. ƒƒ Together with Freeman and other NINT ALEX BROWN researchers, enhance sensitivity of silicon ƒƒ Explore one- and two-photon absorption photonics nanocavity torque magnetometer in fluorescent proteins and small molecule technology. biofluorophores. ƒƒ Publish proposal for detecting optical angular ƒƒ Investigate environmental effects (hydrogen- momentum states of light using optomechanical bonding/base-stacking) on two-photon devices. absorption. ƒƒ Develop software for spectral simulations and JOHN BEAMISH surface hopping dynamics. ƒƒ Characterize and compare mass transport in ƒƒ Examine phosphorescence in tellurophenes/ 3 4 Fermi and Bose quantum solids ( He and He). development of new phosphorescent molecules. ƒƒ Measure the mobility of impurity atoms in ƒƒ Conduct computational study of nuclear 3 quantum solids with spin (bcc and hcp He). magnetic resonance for new materials.

2016/2017 ANNUAL REPORT 51 JILLIAN BURIAK DAVID FEDER ƒƒ Understand the driving force behind self- ƒƒ Explore how to perform universal measurement- assembled Moiré nanopatterns on silicon. based quantum computation with symmetry ƒƒ Develop new earth-abundant nanomaterials for protected many-body states. solar energy conversion. ƒƒ Understand the violation of entanglement area ƒƒ Determine mechanism of new silicon- laws in fermionic matter. chalcogenide linkages on silicon for molecular ƒƒ Attempt to construct universal resources for electronics. measurement-based quantum computation with ƒƒ Capture a ‘snapshot’ of the electric field of interacting fermionic particles on lattices. plasmonic nanostructures through surface ƒƒ Explore novel phases for ultracold atoms chemistry. confined in optical cavities and optical lattices.

SAURYA DAS MARK FREEMAN ƒƒ Implement minimum measurable length in a ƒƒ Perform mechanical measurement of spin-lattice Lorentz covariant way in quantum mechanics relaxation via torque-mixing magnetic resonance and . spectroscopy. ƒƒ Re-examine Higgs mechanism in general ƒƒ Continue developing a suite of quantum optics relativity and study its implications for quantum experiments for senior undergraduate and gravity. beginning graduate experimental physics ƒƒ Study the role of adiabatic quantum computation laboratory. in quantum computers, in collaboration with QA-Lethbridge computer scientists. GILAD GOUR ƒƒ Determine necessary and sufficient conditions JOHN P. DAVIS for converting one state to another under ƒƒ Achieve quantum occupation of symmetric operations. nanomechanical resonators. ƒƒ Derive necessary and sufficient conditions for ƒƒ Explore microwave to optical conversion using a converting an incoherent athermal state to an variety of systems. athermal state with coherence in the energy basis. ƒƒ Demonstrate superfluid microwave cavity optomechanical resonators. ƒƒ Find an explicit example for non-additivity of the Holevo capacity of a quantum channel. ƒƒ Prepare superfluid3 He for the first time in decades in Canada. ƒƒ Generalize the from a lone system to a system entangled with quantum memory with applications to quantum RAY DECORBY cryptography. ƒƒ Refine our processes for on-chip open- access microcavity arrays, with the goal of FRANK HEGMANN demonstrating high-cooperativity operation in various wavelength regions relevant to cavity ƒƒ Perform ultrafast terahertz scanning tunneling QED. microscopy (THz-STM) on single silicon nanocrystals and single molecules. ƒƒ Develop processes for locating ‘atomic’ emitters (both gas-phase and solid-state) into our ƒƒ Explore potential for driving nanomechanical microcavity platform. oscillators with intense THz pulses. ƒƒ Develop processes for integrating ƒƒ Explore ultrafast dynamics of quantum wave optomechanical elements and microwave functions in a single . circuitry with our on-chip optical microcavities.

52 QUANTUM ALBERTA SHAHADAT HOSSAIN ƒƒ Develop and test empirical and coarse-grain ƒƒ Formulate sparsity detection problem for sparse potential models appropriate for simulations Jacobian matrices using statistical machine studies of self-assemble processes in Zn/ learning. carboxylate MOFs. ƒƒ Determine computational complexity for matrix ƒƒ Determine the key factors impacting the colouring heuristics. nucleation process of gas clathrate hydrates from gas mixtures of varying compositions. ƒƒ Develop computational methods for high- performance sparse linear algebra required in ƒƒ Examine in influences of surfaces on the nonlinear optimization and solving system of nucleation of gas hydrates from water-in-oil nonlinear equations with special structures such emulations, in complimentary simulations and as symmetry (matrix) and super-symmetry (3D experimental studies. tensors). LINDSAY LEBLANC PETER HØYER ƒƒ Complete construction and commissioning of ƒƒ Develop algorithms for generalized quantum “hybrid quantum systems” apparatus. walks systems. ƒƒ Perform optical transport of ultracold Rb atoms ƒƒ Determine necessary and sufficient conditions over large (30 cm) distances. for speed up of generalized quantum walks. ƒƒ Integrate cold atoms with on-chip electronic and optical devices. WOLFGANG JÄGER ƒƒ Perform experiments in quantum memory with ƒƒ Utilize helium nanodroplets as a quantum solvent ultracold rubidium atoms. to study chemical reactions at low temperatures. ƒƒ Perform experiments with artificial spin-orbit ƒƒ Develop pulse sequences to manipulate energy coupling to probe many-body physics with level populations of isolated molecules in the ultracold rubidium atoms. microwave region. ƒƒ Produce ultracold samples of 39K atoms. ƒƒ Explore the specific roles of hydrogen bonding in atmospheric processes involved in the ALEX LVOVSKY formation of aerosol particles using time- ƒƒ Build an entangled state between a Schrödinger domain spectroscopy and quantum chemical cat and the polarization of a single photon. calculations. ƒƒ Obtain superresolution with pairs of point objects ƒƒ Perform photo-reaction chamber experiments to that are separated by a few tens of nm. study ageing of atmospheric soot nano-particles. ƒƒ Demonstrate complete reconstruction of an ƒƒ Develop a quantum-cascade-laser-based image with sub-diffraction resolution. atmospheric trace gas sensor for deployment on a high-altitude balloon. JOSEPH MACIEJKO PETER KUSALIK ƒƒ Understand novel dualities of Majorana fermions and use them to discover novel universality ƒƒ Develop and test an effective interaction potential classes of quantum phase transitions. for OH radical in water that faithfully reproduces the structural features observed from ab initio ƒƒ Construct exactly soluble models of interacting simulations. Majorana fermions on the lattice. ƒƒ Explore the behaviour of OH radical at the ƒƒ Demonstrate theoretically the possibility of surfaces of water and ice. a fractional quantum Hall nematic phase in systems of Rydberg atoms. ƒƒ Determine the stability and reactivity of hemi- bonded complexes of OH radical with Cl- or Br- anions.

2016/2017 ANNUAL REPORT 53 FRANK MARSIGLIO SERGEI NOSKOV

ƒƒ Study superconductivity in H3S. ƒƒ Advance modelling methodologies enabling ƒƒ Reduce Kronig-Penney models to tight-binding. rational design of membrane proteins with applications to early cancer detection and non- ƒƒ Characterize superconductivity in the Dynamic invasive imaging. Extend developed methods Hubbard model in the presence of spin-orbit for understanding molecular transport in model coupling. systems such as solid-state nanopores and ƒƒ Investigate inhomogeneous superconductivity mitochondrial transport complexes. near surfaces with spin-orbit coupling. ƒƒ Develop quantum-mechanical/molecular- modelling approaches and novel polarizable AL MELDRUM force fields for metalloproteins and anion-moving ƒƒ Demonstrate microscale lasing sensors. membrane transporters for applications to receptor-level modelling of cell signaling in ƒ Show the best detection limits for lasing micro- ƒ cardiac tissues. sensor devices. ƒƒ Continue multi-scale approach connecting ƒ Create a white microlaser (a white-light laser ƒ receptor (ion channels) level dynamics to cellular smaller than a hair). and tissue responses with particular emphasis on emergent electrical properties of ventricular KIRK MICHAELIAN membranes. ƒ Develop instrumentation and signal recovery in ƒ ƒƒ Develop computational platform utilizing a photoacoustic spectroscopy. panel of machine-learning algorithms to analyze ƒƒ Perform characterization of hydrocarbon. metabolomics and toxicology datasets. ƒƒ Understand synchrotron infrared spectroscopy. DENNIS SALAHUB NASSER MOAZZEN-AHMADI ƒƒ Advance multi-scale modelling methodologies ƒƒ Record and analyse laboratory infrared spectra and their implementation in efficient computer of hydrocarbons relevant to the methane cycle in codes, with an immediate focus on and the atmospheres of Titan and the Giant Planets. implementation of the GGA+U methodology for strongly correlated systems, dispersion ƒƒ Construct highly-accurate potential energy corrections and quantum capping potentials for surfaces for characterization of intermolecular QM/MM calculations. forces. ƒƒ Develop multiscale modelling of nanocatalysis ƒƒ Measure low-frequency intramolecular vibrational for oil sands upgrading by extending our work on fundamentals of molecular clusters via molybdenum carbide to include mixed-valence combination bands. ceria-metal catalysts to split water, using the ƒƒ Provide high resolution spectroscopic data to test produced hydrogen for hydrocracking over molybdenum carbide. the onset of superfluidity in CH3COOH-(He)4 as the smallest superfluid cluster. ƒƒ Perform multiscale QM/MM studies of the ƒƒ Record and analyse laboratory spectra of mechanism of action of important enzymes; H2- and He-hydrocarbons for elucidation of continue studies of the heme peroxidases in collisional processes between molecular order to verify, or falsify, the presence of electron hydrogen and rare gas with hydrocarbon trace density circuits. species for planetary applications. ƒƒ Perform structural determination of complexes formed from carbon monoxide and carbon dioxide.

54 QUANTUM ALBERTA BARRY C. SANDERS ROBERT THOMPSON ƒƒ Develop a wavelet-based for ƒƒ Observe optical transition in trapped atomic quantum computer simulation of a multi-scale antihydrogen. renormalizable quantum field theory. ƒƒ Use geochemical techniques to determine ƒƒ Operationalize fundamental quantum protocols. double-ß half-life for 96Zr. ƒƒ Formalize the machine-learning description of ƒƒ Finalize design of the ALPHA-g apparatus. quantum control. ƒƒ Determine how to postselect a controlled- WOLFGANG TITTEL controlled-not gate with ten-photon entangled ƒƒ Develop and demonstrate key components state. for quantum repeater-based quantum key ƒƒ With Wolkow at the University of Alberta and with distribution especially quantum memory for light, Quantum Silicon Incorporated, design and test measurement-device-independent quantum key all-silicon proof of concept atom-scale circuitry distribution, and quantum teleportation. for quantum adiabatic annealing. ƒƒ Explore how to map quantum information between superconducting qubits and YUJUN SHI telecommunication-wavelength photons. ƒƒ Investigate chemical vapor deposition chemistry of silicon nitride using aminosilanes as novel SIMON TRUDEL precursors. ƒƒ Investigate photochemical formation of ƒƒ Explore the pulsed laser dewetting method for nanoparticles for water electrolysis. the formation of bimetallic nanoparticles. ƒƒ Develop in situ and in oprando methods for ƒƒ Advance the development of a theoretical model x-ray based spectroscopy at the Canadian Light in characterizing the temperature profile in the Source. process of pulsed laser dewetting. ƒƒ Develop novel magnetic nanoparticles for ƒƒ Develop methods using chemical vapor magnetic resonance imaging. deposition to form Si-based nanostructures. JACK TUSZYNSKI CHRISTOPH SIMON ƒƒ Undertake computational drug design for a DNA ƒƒ Develop proposals for room-temperature Repair Enzyme Inhibitor. quantum photonics involving defects in diamond ƒƒ Investigate effects of TTFields on microtubules and opto-mechanical systems. and cancer cells. ƒƒ Work on quantum networks with rare-earth ions, ƒƒ Build a database of ion channel modulators. pursuing both approaches based on single ions ƒƒ Explore electromagnetic effects in protein and on ensembles. conformational changes. ƒƒ Study transducers between superconducting qubits and photonic qubits, based on defects in JONATHAN VEINOT solids and on opto-mechanical systems. ƒƒ Develop methods for rendering silicon ƒƒ Study potential sources of bio-photons in the nanocrystals water soluble while maintaining brain, with a focus on singlet oxygen and the photoluminescent response and demonstrate possible role of spin. targeted, gated biological imaging (i.e., luminescence, MRI, PET). ƒƒ Study entangled-photon microscopy, in particular using nano-diamonds. ƒƒ Investigate the NMR characteristics of functionalized silicon nanocrystals and evaluate for MRI imaging. ƒƒ Develop methods to render the optical response of silicon nanocrystals stable toward humidity and thermal stressing.

2016/2017 ANNUAL REPORT 55 ƒƒ Evaluate the influence of size/structure on SiNC YUNJIE XU lithium ion battery performance. ƒƒ Develop and evaluate a novel method for chirality ƒƒ Develop methods for preparing Ge nanocrystals and enantiomeric excess determination based and optimize their optical response. on rational spectra of chiral contact pair. ƒƒ Develop methods for preparing silicon and ƒƒ Investigate a new chirality transfer mechanism germanium nanosheets (small and large areas). using Raman optical activity. ƒƒ Explore photocatalytic properties of ƒƒ Examine and understand new phenomena semiconductor nanoparticles. related to resonance and near-resonance Raman optical activity. MARK WALTON ƒƒ Complete the development of a hybrid mass- ƒƒ Generalize the transition-operator formalism laser spectroscopic instrument for chirality relating different phase-space quantizations of recognition of key species in solution. the same system in order to describe different ƒƒ Explore chirality recognition and induction quantum systems. phenomena at liquid-liquid interfaces in ƒƒ Implement unitary group to subgroup branching collaboration with Zeng and Tang in the rules and generating functions for Kronecker Engineering Faculty. coefficients as computational tools for the quantum marginal problem. ƒƒ Derive the Leggett-Garg inequalities by adapting the proof of the uncertainty principle in phase- space quantum mechanics. ƒƒ Extend the relation between conformal field theories and Weyl-orbit functions to boundary conformal field theories.

ROBERT WOLKOW ƒƒ In cooperation with Quantum Silicon incorporated, continue the development of atom-scale circuitry for binary computation that is incomparably fast and low power consuming. ƒƒ With Sanders at the University of Calgary and with Quantum Silicon Incorporated, design and test all-silicon proof of concept atom-scale circuitry for quantum adiabatic annealing. ƒƒ Fabricate ultra-sharp, single-atom-terminated tips for diverse applications, including scan probed imaging, atom-scale fabrication, efficient refrigeration technology, ion-propulsion devices, ion and electron sources for emerging charged particle microscopies.

56 QUANTUM ALBERTA