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Workshop on Computational Physics and Materials Science
Workshop on Computational Physics and Materials Science: Total Energy and Force Methods 2020 Donostia-San Sebastián, Spain January 8-10, 2020 Institutional support and funding Preface This workshop is organized within the well-established “Total Energy and Force” conference series, which is held at ICTP in Trieste every odd year, and at a different place in the world every even year. The previous most recent workshops of this series outside Trieste took place in Barcelona (2012), Lausanne (2014), Luxembourg (2016) and Cambridge (2018). The main objective of this event is to identify new developments and topics in the field of electronic-structure methods from the first-principles perspective, their diverse applications, and its mathematical foundations. As such, it provides a great opportunity to assemble a wide range of leading scientists working on different aspects of computational material science. The workshop aims to cover the following topics: • Electron-phonon • Dielectrics • 2D materials • Correlation effects • Superconductivity • Topological materials • Transport properties • Excitations Organizing committee • Aran Garcia-Lekue, DIPC • Ivo Souza, UPV/EHU • Ion Errea, UPV/EHU Scientific advisory board • O. Akin-Ojo, University of Ibadan • E. Artacho, University of Cambridge & Nanogune • W. Andreoni, Ecole Polytechnique Fédérale de Lausanne • S. Biermann, Ecole Polytechnique, Palaiseau • R. Car, Princeton University • C. Filippi, University of Twente • M. Finnis, Imperial College • R. Gebauer, International Centre for Theoretical Physics • X.-G. Gong, Fudan University • J. Ihm, Seoul National University • E. Koch, Forschungszentrum Jülich • G. Kresse, University of Vienna • R. M. Martin, Stanford University • F. Mauri, University “La Sapienza” • A. Mostofi, Imperial College London • S. Narasimhan, JNCASR Bangalore • J. B. -
Graphene and 2DM Online Conference (GO2020): Fundamental Research Insights
Fundamental Research Insights JULY 07, 2020 Aachen Graphene & 2D-Materials Center From basic research to innovation Digital Hardware ■ Electronics for neuromorphic computing ■ Sensor technology for autonomous driving and IoT ■ Optoelectronics for high speed data communication ■ Electronics for wearables and implantables AMO AMO GmbH Otto-Blumenthal-Straße 25 ■ D-52074 Aachen ■ Germany Phone +49 241 88 67-125 ■ Fax +49 241 88 67-571 [email protected] ■ www.amo.de F OREWORD On behalf of the Organising Committee we take great pleasure in welcoming you for the 1st edition of the Graphene and 2DM Online Conference (GO2020): Fundamental Research Insights. Graphene and 2D Materials have a huge potential to impact established industrial sectors, building new emerging industries and niche segments and creating economic value. The one-day Graphene and 2DM Online conference (GO2020) will present the most recent advances in fundamental research in electronics, energy storage, biohealth, composites, coatings or sensors. 11 high profile talks from worldwide most influential academia experts in the Graphene and 2DM sector will present speeches in this international event on how advanced materials will change the future of technology and impact positively our daily life. GO2020 will be a one-day online event that means to gather the key players of the Graphene and 2DM Community and related sectors. This event is launched following the success of previous Grapheneconf editions and considering that all major scientific and technological conferences are being cancelled or postponed worldwide until the end of 2020. We are indebted to the following Company for their help and financial support: AMO GmbH (Germany) We also would like to thank all the speakers and participants that join us this year. -
Mothers in Science
The aim of this book is to illustrate, graphically, that it is perfectly possible to combine a successful and fulfilling career in research science with motherhood, and that there are no rules about how to do this. On each page you will find a timeline showing on one side, the career path of a research group leader in academic science, and on the other side, important events in her family life. Each contributor has also provided a brief text about their research and about how they have combined their career and family commitments. This project was funded by a Rosalind Franklin Award from the Royal Society 1 Foreword It is well known that women are under-represented in careers in These rules are part of a much wider mythology among scientists of science. In academia, considerable attention has been focused on the both genders at the PhD and post-doctoral stages in their careers. paucity of women at lecturer level, and the even more lamentable The myths bubble up from the combination of two aspects of the state of affairs at more senior levels. The academic career path has academic science environment. First, a quick look at the numbers a long apprenticeship. Typically there is an undergraduate degree, immediately shows that there are far fewer lectureship positions followed by a PhD, then some post-doctoral research contracts and than qualified candidates to fill them. Second, the mentors of early research fellowships, and then finally a more stable lectureship or career researchers are academic scientists who have successfully permanent research leader position, with promotion on up the made the transition to lectureships and beyond. -
2005 Annual Report American Physical Society
1 2005 Annual Report American Physical Society APS 20052 APS OFFICERS 2006 APS OFFICERS PRESIDENT: PRESIDENT: Marvin L. Cohen John J. Hopfield University of California, Berkeley Princeton University PRESIDENT ELECT: PRESIDENT ELECT: John N. Bahcall Leo P. Kadanoff Institue for Advanced Study, Princeton University of Chicago VICE PRESIDENT: VICE PRESIDENT: John J. Hopfield Arthur Bienenstock Princeton University Stanford University PAST PRESIDENT: PAST PRESIDENT: Helen R. Quinn Marvin L. Cohen Stanford University, (SLAC) University of California, Berkeley EXECUTIVE OFFICER: EXECUTIVE OFFICER: Judy R. Franz Judy R. Franz University of Alabama, Huntsville University of Alabama, Huntsville TREASURER: TREASURER: Thomas McIlrath Thomas McIlrath University of Maryland (Emeritus) University of Maryland (Emeritus) EDITOR-IN-CHIEF: EDITOR-IN-CHIEF: Martin Blume Martin Blume Brookhaven National Laboratory (Emeritus) Brookhaven National Laboratory (Emeritus) PHOTO CREDITS: Cover (l-r): 1Diffraction patterns of a GaN quantum dot particle—UCLA; Spring-8/Riken, Japan; Stanford Synchrotron Radiation Lab, SLAC & UC Davis, Phys. Rev. Lett. 95 085503 (2005) 2TESLA 9-cell 1.3 GHz SRF cavities from ACCEL Corp. in Germany for ILC. (Courtesy Fermilab Visual Media Service 3G0 detector studying strange quarks in the proton—Jefferson Lab 4Sections of a resistive magnet (Florida-Bitter magnet) from NHMFL at Talahassee LETTER FROM THE PRESIDENT APS IN 2005 3 2005 was a very special year for the physics community and the American Physical Society. Declared the World Year of Physics by the United Nations, the year provided a unique opportunity for the international physics community to reach out to the general public while celebrating the centennial of Einstein’s “miraculous year.” The year started with an international Launching Conference in Paris, France that brought together more than 500 students from around the world to interact with leading physicists. -
Start-Up Company Networking Event 31St March 2021 (Wednesday) 1800 – 2000 Online (MS Teams)
Start-up company networking event 31st March 2021 (Wednesday) 1800 – 2000 Online (MS Teams) IChemE start-up company networking event Aims: Event details: • Build a community of chem-eng- • Anticipated participants: related start-ups for sharing • 13 start-ups information and experience • 1 government grant expert • ~20 IChemE members (spectators) • Inspire students/researchers about the application of chem eng knowledge and possible career paths Schedule • 1800 – 1830: Introduction by start-up representatives • 3 min each (10 start-ups: CMCL Innovations / Manchester Biogel / Octeract / Carbon Sink LLC / Accelerated Materials / Dye Recycle / Olwg / Nanomox / Solveteq / Greenr) • 1830 – 1910: Talks by Professor Nigel Brandon, Mr Phil Caldwell & Dr David Hodgson • 10 min each --- > start-up journey + key learning points • 10 min Q & A for all three speakers • 1910 – 1930: Talk by Dr Mat Westergreen-Thorne • 10 min --- > application of government grants • 10 min Q & A • 1930 – 2000: Panel discussions • Topics: • Personal development for start-up founders with technical background • Early-stage development: common mistakes, major milestones, resources available • Website: https://www.rfcpower.com/ Prof. Nigel Brandon (Director & co-founder) • Founded: 2017 • Product: Novel hydrogen-manganese reversible fuel • https://www.imperial.ac.uk/people/n.brandon cell for grid scale energy storage. • Email: [email protected] • RFC Power specializes in developing novel flow • Dean of the Faculty of Engineering and Chair in battery chemistries for energy storage systems. The Sustainable Development in Energy, Imperial College company was spun out from Imperial College’s London. Departments of Earth Science & Engineering and Chemistry in 2017, underpinned by a number of • BSc(Eng) in Minerals Technology and PhD in scientific breakthroughs and patents from the labs of electrochemical engineering from Imperial College Nigel Brandon, Anthony Kucernak, Javier Rubio Garcia London, followed by a 14 year research career in and Vladimir Yufit over the prior 8 years. -
KARUNADASA CV.Pdf
HEMAMALA I. KARUNADASA Department of Chemistry Email: [email protected] Stanford University 333 Campus Drive Website: http://www.stanford.edu/group/karunadasalab Stanford, CA 94305 Professional Appointments Stanford University, Assistant Professor of Chemistry, 2012 – 2019 Stanford University, Associate Professor of Chemistry, from Sep 2019 Stanford University, Junior Faculty Fellow, Precourt Institute for Energy, 2014 – 2021 SLAC National Accelerator Laboratory, Faculty Scientist, from July 2020. Stanford University, Senior Faculty Fellow, Precourt Institute for Energy, from June 2021 Academic Background California Institute of Technology, Post-doctoral researcher, 2010 – 2012 Advisor: Prof. Harry B. Gray. Research: Molecular catalysts for hydrocarbon oxidation University of California, Berkeley and Lawrence Berkeley National Laboratory, Post-doctoral researcher, 2009 – 2010 Advisors: Profs. Christopher J. Chang and Jeffrey R. Long. Research: Molecular catalysts for generating hydrogen from water University of California, Berkeley, Ph.D. in Inorganic Chemistry, 2009 Advisor: Prof. Jeffrey R. Long. Thesis: Heavy atom building units for magnetic materials and molecular catalysts for generating hydrogen from water Princeton University, A.B. in Chemistry (high honors) and Certificate in Materials Science and Engineering 2003 Advisor: Prof. Robert J. Cava. Thesis: Geometrically frustrated magnets Awards 1. Undergraduate Thesis Award in Inorganic Chemistry, Princeton University, 2003 2. Tyco Electronics, Graduate Fellowship, 2006 3. Outstanding Graduate Student Instructor Award, University of California, Berkeley, 2006 4. BP Post-Doctoral Fellowship, California Institute of Technology, 2011 5. Gabilan Junior Faculty Fellow, Stanford University, 2012 6. Thieme Chemistry Journal Award, 2013 7. National Science Foundation CAREER Award, 2014 8. Rising Star Award, International Conference on Coordination Chemistry (ICCC41), Singapore, 2014 9. Alfred P. Sloan Research Fellowship, 2015 10. -
Call for Papers | 2022 MRS Spring Meeting
Symposium CH01: Frontiers of In Situ Materials Characterization—From New Instrumentation and Method to Imaging Aided Materials Design Advancement in synchrotron X-ray techniques, microscopy and spectroscopy has extended the characterization capability to study the structure, phonon, spin, and electromagnetic field of materials with improved temporal and spatial resolution. This symposium will cover recent advances of in situ imaging techniques and highlight progress in materials design, synthesis, and engineering in catalysts and devices aided by insights gained from the state-of-the-art real-time materials characterization. This program will bring together works with an emphasis on developing and applying new methods in X-ray or electron diffraction, scanning probe microscopy, and other techniques to in situ studies of the dynamics in materials, such as the structural and chemical evolution of energy materials and catalysts, and the electronic structure of semiconductor and functional oxides. Additionally, this symposium will focus on works in designing, synthesizing new materials and optimizing materials properties by utilizing the insights on mechanisms of materials processes at different length or time scales revealed by in situ techniques. Emerging big data analysis approaches and method development presenting opportunities to aid materials design are welcomed. Discussion on experimental strategies, data analysis, and conceptual works showcasing how new in situ tools can probe exotic and critical processes in materials, such as charge and heat transfer, bonding, transport of molecule and ions, are encouraged. The symposium will identify new directions of in situ research, facilitate the application of new techniques to in situ liquid and gas phase microscopy and spectroscopy, and bridge mechanistic study with practical synthesis and engineering for materials with a broad range of applications. -
Parkin CV and Publication List 11-20-2020
Curriculum Vitae - Stuart Stephen Papworth PARKIN Nationality Joint United Kingdom and United States Birthdate December 9, 1955 Current address Trothaer Strasse 17c, 06118 Halle (Saale), Germany Education and Employment The Edinburgh Academy (1971-1973) 1973 A levels- Physics, Chemistry and Maths (Grade A); S levels- Chemistry and Maths (Grade 1) 1973 Gold Medal and Academical Club Prize for Dux of School Trinity College, Cambridge (1974- ) 1974 Entrance Scholarship; 1975 Senior Scholarship; 1976 Science Essay Prize; 1977 Research Scholarship 1977 B.A. in Physics and Theoretical Physics (Theoretical Physics Option), class I, comprising class I in parts Ia (1975), Ib (1976) and II (1977) 1979 Research Fellow 2014 Honorary Fellow The Cavendish Laboratory, Cambridge (1977-1980) 1977 Research Student in the Physics and Chemistry of Solids Group, headed by Dr. A.D. Yoffe 1980 Ph.D. awarded (April) Laboratoire de Physique des Solides, Orsay, Paris (1980-1981) 1980 Royal Society European Exchange Fellowship, Laboratoire de Physique des Solides, Université Paris-Sud IBM Almaden Research Center, San Jose, California (formerly IBM San Jose Research Laboratory) 1982 IBM World Trade Fellowship 1983 Adjunct Research Staff Member (January); 1984 Research Staff Member (October) 1999 IBM Fellow (June) 2004-2014 Director, IBM-Stanford Spintronic Science and Applications Center (SpinAps); co-directed by Shoucheng Zhang (Physics) and James Harris (Electrical Engineering), Stanford University Max Planck Institute of Microstructure Physics and Martin Luther University Halle-Wittenberg (2014- ) 2014 Alexander von Humboldt Professor, Martin Luther University Halle-Wittenberg, Halle, Germany 2015 Director, Max Planck Institute of Microstructure Physics, Halle, Germany, April 1, 2015. 2016-2019 Managing Director, Max Planck Institute of Microstructure Physics, Halle, Germany Degrees B.A. -
Fiona Meldrum to Lead MRS Bulletin Editorial Board
SOCIETY NEWS Fiona Meldrum to lead MRS Bulletin Editorial Board www.mrs.org/bulletin RS Bulletin recently celebrated its University of London in M 40th anniversary. What started 1998. In 2003, Meldrum as an eight-page newsletter in 1975 has moved to the School of transformed into a widely recognized Chemistry, University of and highly respected publication in ma- Bristol where she remained terials research that serves as a valuable until she joined the benefi t to more than 16,000 members of University of Leeds in 2009. the Materials Research Society. “It’s certainly a great Fiona Meldrum, chair of inorganic privilege to be taking over chemistry at the University of Leeds, has as chair of the editorial accepted the position of chair of the MRS board, and I hope to be able Bulletin Editorial Board. She follows Paul to support the Bulletin team Drzaic, who has served in this role for and all of our volunteers to more than 10 years and was recently ensure that the Bulletin main- Paul Drzaic and Fiona Meldrum elected to the MRS Board of Directors. tains its status as the fl agship “I am quite confident that Fiona will MRS publication,” said Meldrum. “The Webinars, all while maintaining the bring perspective, insight, and energy last few years have seen a range of new quality and prestige of the MRS Bulletin to the position, and successfully lead the innovations, such as the introduction of theme articles. The MRS Bulletin contin- Bulletin into its next phase,” said Drzaic. MRS Bulletin Webinars, and I look forward ues to provide a major benefi t for MRS Meldrum has been an active member to helping the team to continue to develop members, and the greater scientifi c/engi- of MRS for many years, including serving the journal—both in print and online— neering community,” said Drzaic. -
Bio-Inspired Crystallization of Oxide Compounds Within Inorganic Matrices
BIO-INSPIRED CRYSTALLIZATION OF OXIDE COMPOUNDS WITHIN INORGANIC MATRICES A Dissertation Presented to the Faculty of the Graduate School of Cornell University In Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy by Emily Asenath Smith May 2015 © 2015 Emily Asenath Smith BIO-INSPIRED CRYSTALLIZATION OF OXIDE COMPOUNDS WITHIN INORGANIC MATRICES Emily Asenath Smith, Ph. D. Cornell University 2015 The energy crisis facing our planet requires solutions that take an interdisciplinary approach to the improvement of existing energy systems as well as the development of new energy sources. Moreover, the composition of the materials is important: thermally- and chemically-stable materials based on abundant, non-toxic elements are needed to support the sustainability of both the technology and our environment. Biological organisms present multiple examples of hierarchical structures that are optimized for a given function. In particular, biomineralized materials: (i) display crystallographic control across length scales; (ii) are often organic-inorganic composites due to the occlusion of components from the associated organic growth matrix; (iii) and exhibit tailored mechanical properties that are unique to their function. Of great importance to the development of advanced energy materials is the observation that biomineral architectures are built from crystallographically-defined structural elements with interfaces that span multiple length scales. Synthetically, the translation of biological mineralization strategies to oxide compounds is hindered by the low melting temperatures of biopolymer hydrogels that compose extracellular matrices. In order to successfully crystallize oxide compounds using a (bio-inspired) matrix-mediated approach, I had to identify and develop a hydrogel system with thermal stability and chemical compatibility to the growth conditions needed for the oxide. -
Pnas11052ackreviewers 5098..5136
Acknowledgment of Reviewers, 2013 The PNAS editors would like to thank all the individuals who dedicated their considerable time and expertise to the journal by serving as reviewers in 2013. Their generous contribution is deeply appreciated. A Harald Ade Takaaki Akaike Heather Allen Ariel Amir Scott Aaronson Karen Adelman Katerina Akassoglou Icarus Allen Ido Amit Stuart Aaronson Zach Adelman Arne Akbar John Allen Angelika Amon Adam Abate Pia Adelroth Erol Akcay Karen Allen Hubert Amrein Abul Abbas David Adelson Mark Akeson Lisa Allen Serge Amselem Tarek Abbas Alan Aderem Anna Akhmanova Nicola Allen Derk Amsen Jonathan Abbatt Neil Adger Shizuo Akira Paul Allen Esther Amstad Shahal Abbo Noam Adir Ramesh Akkina Philip Allen I. Jonathan Amster Patrick Abbot Jess Adkins Klaus Aktories Toby Allen Ronald Amundson Albert Abbott Elizabeth Adkins-Regan Muhammad Alam James Allison Katrin Amunts Geoff Abbott Roee Admon Eric Alani Mead Allison Myron Amusia Larry Abbott Walter Adriani Pietro Alano Isabel Allona Gynheung An Nicholas Abbott Ruedi Aebersold Cedric Alaux Robin Allshire Zhiqiang An Rasha Abdel Rahman Ueli Aebi Maher Alayyoubi Abigail Allwood Ranjit Anand Zalfa Abdel-Malek Martin Aeschlimann Richard Alba Julian Allwood Beau Ances Minori Abe Ruslan Afasizhev Salim Al-Babili Eric Alm David Andelman Kathryn Abel Markus Affolter Salvatore Albani Benjamin Alman John Anderies Asa Abeliovich Dritan Agalliu Silas Alben Steven Almo Gregor Anderluh John Aber David Agard Mark Alber Douglas Almond Bogi Andersen Geoff Abers Aneel Aggarwal Reka Albert Genevieve Almouzni George Andersen Rohan Abeyaratne Anurag Agrawal R. Craig Albertson Noga Alon Gregers Andersen Susan Abmayr Arun Agrawal Roy Alcalay Uri Alon Ken Andersen Ehab Abouheif Paul Agris Antonio Alcami Claudio Alonso Olaf Andersen Soman Abraham H. -
Designing Ionic-Complementary
DESIGNING IONIC-COMPLEMENTARY HYDROGELS FOR BONE TISSUE REPAIR A thesis submitted to the University of Manchester for the degree of Doctor of Philosophy (PhD) in the Faculty of Chemical Engineering and Analytical Science 2014 MSc. LUIS ALBERTO CASTILLO DIAZ School of Chemical Engineering and Analytical Science CONTENTS List of figures……………………………………………………………….................4 List of abbreviations…………………………………………………………….……..5 Declaration…………………………………………………………………………….8 Copyright………………………………………………………………………………9 Acknowledgements…………………………………………………………………..10 Thesis Structure……………………………………………………………….…..….11 Abstract………………………………………………………………………………12 Objectives of the thesis………………………………………………………………13 1 Chapter 1 - Introduction. Versatile peptide hydrogels for bone and dental tissue regeneration………………….…………………….………………………..…….….14 2 Chapter 2- Human osteoblasts within soft peptide hydrogels promote mineralisation in vitro…………………………………………………………………….….70 3 Chapter 3 - Functional peptide hydrogels for bone formation applications………..71 4 Chapter 4 - Osteogenic differentiation of human mesenchymal stem cells promotes mineralisation within an octa-peptide hydrogel……………………...…....99 5 Chapter 5- Materials and methods……………………….………………………129 5.1 Materials…………………………………………………………………….…..129 2 5.2 Methods…………………………………………………………………………130 5.3 References………………………………………………………………………139 6 Chapter 6 – Conclusions, outlook and recommendations for future work………..140 6.1 Conclusions……………..……………………………………………………....140 6.2 Outlook………………………………………………………………………….141 6.3 Recommendations