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Ins#Tute for Advanced Computa#Onal Science
Instute for Advanced Computaonal Science Robert J. Harrison, Director [email protected] 1 What is IACS? • A muldisciplinary instute with a focus on computaonal and data science • $20M endowment to support 3 endowed chairs and operaons (~$13M) • 12 core faculty, 32 affiliate faculty, 100+ students with plans to grow to 16+ core and 150+ students • Newly renovated space – ~6000 sq. ., 17 faculty offices, 45 students • Vision and mission to excel, lead and serve • Educaon and research without walls 2 IACS Organizaonal Chart Vision Our vision is to be an internaonally recognized center in data and computaonal science, having vibrant muldisciplinary research and educaon programs, with broad leadership and benefit across Stony Brook and SUNY, and with demonstrated economic benefit to New York State. 4 IACS Faculty and Community Community • Benefing from our instuonal Community and intellectual leadership, educaon and training, shared resources, and online materials Affiliated Affiliated faculty & students • Collaborators and strategic partners • Have full access to IACS resources and student awards/fellowships Core faculty and students Core • Faculty have 50% appointment in IACS with MOU • Fundamentals and applicaons of computaonal science 5 IACS Core Faculty - I • Alan Calder (astro. phys.) Deputy Director • Barbara Chapman (comp.sci.) • Rezaul Chowdhury (comp. sci.) • Marivi Fernández-Serra (cond. ma.) 6 IACS Core Faculty - II • Robert J. Harrison (chemistry) Director • Predrag KrsBć • Xiangmin Jiao (app. math.) • Marat Khairoutdinov (atmos. sci.) 7 IACS Core Faculty - III • Artem Oganov (materials) • Ma Reuter (math/chem. phys.) • Arnout van de Rijt (sociology) 8 IACS Research Themes Numerics and algorithms: Numerics and Jiao, Chowdhury, Harrison, (all) algorithms Materials and chemistry by design: Producvity Materials and Fernández-Serra, Oganov, KrsBć, and chemistry by Harrison, Reuter performance design Interdisciplinary faculty in Social sciences and humanies: foundaons and van de Rijt (and affiliates) applicaons of computaonal science Physical, env. -
The Government of Russian Federation
16/01/2017 RAP/RCha/RUS/6(2017) EUROPEAN SOCIAL CHARTER 6th National Report on the implementation of the European Social Charter submitted by THE GOVERNMENT OF RUSSIAN FEDERATION Articles 3, 11, 12 and 14 for the period 01/01/2012 - 31/12/2015 Report registered by the Secretariat on 16 January 2017 CYCLE 2017 Report on the implementation of European Social Charter (revised) Articles 3, 11, 12, 14. Ministry of Labour and Social Protection of the Russian Federation. 2016. Paragraph 1 Article 3. With a view to ensuring the effective exercise of the right to safe and healthy working conditions, the Parties undertake, in consultation with employers' and workers' organization: to formulate, implement and periodically review a coherent national policy on occupational safety, occupational health and the working environment. The primary aim of this policy shall be to improve occupational safety and health and to prevent accidents and injury to health arising out of, linked with or occurring in the course of work, particularly by minimizing the causes of hazards inherent in the working environment; During the report period 2010-2014 the realization of state policy in the sphere of occupational safety and health based on provisions of the Constitution, Labor Code of the Russian Federation, Federal Law № 52-FZ of 30.03.1999 "On the sanitary and epidemiological wellbeing of the population", Federal Law № 116-FZ 21.07.1997 "On industrial safety of dangerous production facilities", Federal law № 426-FZ 28.12.2013 "On special assessment of working conditions", the orders of the President and Government of the Russian Federation and it was implemented in accordance with the concept of demographic policy of the Russian Federation for the period till 2025 and other regulatory documents of the President and Government of the Russian Federation. -
X-Ray Diffraction & Elemental Analysis Welcome
X-ray Diff raction & Elemental Analysis Featured Rigaku Journal Article 2 Welcome X-ray thin-fi lm measurement techniques VII. (Pole fi gure All of us who put The Bridge together wish our readers a happy holiday period as we end measurement) one year and begin another. In 2014 we will be adding some interesting new features to The Bridge that should be useful from a training and educational perspective. The AZX400 Sequential 2 This particular issue has a number of articles concerning thin fi lms, both their production WDXRF Spectrometer and their properties. The use of thin fi lms continues to play a big part in the advancement AZX400 Application Report of new materials and The Bridge is committed to highlighting areas involving thin fi lm Analysis of MTJ structures technology in our overall mission of keeping abreast of advances in materials analysis. Featured Application Note 3 Enjoy the newsletter. Chemical Bath for Copper Foil Surface Treatment A bridge is often used to symbolize a connection or link between two places, and thus we felt The Bridge would be the perfect name for our eNewsletter, as we hope that it will act Rigaku Conferences 4 as a vehicle for the transmission of ideas and information between Rigaku and interested readers around the world. Supermini200 Spectrometer 5 BioSAXS-1000 6 Customer in the Spotlight 6 The fi rst BioSAXS-1000, The University of Texas Medical And a bridge is a two-way Branch at Galveston, UTMB structure, a concept that we will keep in mind as we not The Adventures of Captain Nano 7 only provide information about Rigaku, but also report Scientifi c Book Review 8 on interesting research and the associated laboratories Training Classes 9 around the world, publish technical book reviews that might help our readers in Recent Scientifi c 10 Papers of Interest their work, and highlight general news topics that are of interest to many Material Analysis in the News 11 people involved in materials analysis. -
Title: Unexpected Stable Stoichiometries of Sodium Chlorides
Title: Unexpected stable stoichiometries of sodium chlorides Authors: Weiwei Zhang1, 2, *, Artem R. Oganov2, 3, 4*, Alexander F. Goncharov5,6, Qiang Zhu2, Salah Eddine Boulfelfel2, Andriy O. Lyakhov2, Elissaios Stavrou5, Maddury Somayazulu5, Vitali B. Prakapenka7, Zuzana Konôpková8 Affiliations: 1 Department of Applied Physics, China Agricultural University, Beijing, 100080, China. 2Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, State University of New York, Stony Brook, NY 11794-2100, U.S.A. 3Moscow Institute of Physics and Technology, 9 Institutskiy Lane, Dolgoprudny city, Moscow Region, 141700, Russia 4School of Materials Science, Northwestern Polytechnical University, Xi'an,710072, China 5Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, D.C. 20015, U.S.A. 6Center for Energy Matter in Extreme Environments and Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, 350 Shushanghu Road, Hefei, Anhui 230031, China 7Center for Advanced Radiation Sources, University of Chicago, Chicago, Illinois 60637, U.S.A. 8Photon Science DESY, D-22607 Hamburg, Germany *To whom correspondence should be addressed. E-mail: [email protected], [email protected]. Abstract: Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. Due to the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding, with stoichiometry 1:1 dictated by charge balance, and B1-type crystal structure. Here, by combining theoretical predictions and diamond anvil cell experiments we show that new materials with different stoichiometries emerge at pressure as low as 20 GPa. Compounds such us Na3Cl, Na2Cl, Na3Cl2, NaCl3 and NaCl7 are theoretically stable and have unusual bonding and electronic properties. -
'Forbidden' Chemistry 11 February 2016
Scientists gain insights into 'forbidden' chemistry 11 February 2016 "We showed how the insights gained in the present study can be used to rationalize the stability of recently discovered high-pressure compounds," say the authors in their paper. In a previous experiment, Oganov and his colleagues discovered several 'forbidden' compounds- Na3Cl, NaCl3, NaCl7,and even Na3Cl2. These compounds are only stable under extreme pressure (approximately 200,000 atmospheres) and they decompose under normal conditions on Earth. However, understanding how new compounds become stable under high pressure is of utmost importance for planetary science. The structures of 'textbook' NaCl (left) and 'forbidden' A3Y (A=Li, Na, K; Y= Cl, Br) (right) are shown. Credit: The principle that explains the unusual ratio of Na MIPT press office and Cl atoms in 'forbidden' compounds is that the number of interactions between Na and Cl atoms increases while interactions between sodium atoms break down. Gabriele Saleh, a research fellow at MIPT, and Prof. Artem Oganov, a Laboratory Supervisor at The interactions between neighbouring atoms in a MIPT and Professor at the Skolkovo Institute of crystal are responsible for the structure and Science and Technology (Skoltech), have properties of the crystal (remember carbon and discovered what causes the stability of various graphite). compounds that are not commonly found in 'textbook' chemistry. Upon formation of these 'forbidden compounds', new Na-Cl interactions are formed at the expenses The reorganisation of the chemical interactions of Na-Na metallic bonds. The competition between results in the stability of the 'new' structure of the these two bonding types, influenced by pressure, compounds. -
WT/TPR/S/345/Rev.1 6 December 2016 (16
WT/TPR/S/345/Rev.1 6 December 2016 (16-6657) Page: 1/173 Trade Policy Review Body TRADE POLICY REVIEW REPORT BY THE SECRETARIAT RUSSIAN FEDERATION Revision This report, prepared for the first Trade Policy Review of the Russian Federation, has been drawn up by the WTO Secretariat on its own responsibility. The Secretariat has, as required by the Agreement establishing the Trade Policy Review Mechanism (Annex 3 of the Marrakesh Agreement Establishing the World Trade Organization), sought clarification from the Russian Federation on its trade policies and practices. Any technical questions arising from this report may be addressed to Mr. John Finn (Tel: 022 739 5081), Mr. Ricardo Barba (Tel: 022 739 5088), Mr. Peter Milthorp (Tel: 022 739 5016) and Mr. Rosen Marinov (Tel: 022 739 6391). Document WT/TPR/G/345 contains the policy statement submitted by the Russian Federation. Note: This report was drafted in English. WT/TPR/S/345/Rev.1 • Russian Federation - 2 - CONTENTS SUMMARY ........................................................................................................................ 8 1 ECONOMIC ENVIRONMENT ........................................................................................ 13 1.1 Main Features of the Economy .....................................................................................13 1.2 Recent Economic Developments ...................................................................................14 1.3 Trade and Investment Performance ................................................................................18 -
Superconductivity and Unexpected Chemistry of Germanium Hydrides Under Pressure
Superconductivity and unexpected chemistry of germanium hydrides under pressure 1 1, 2, 3, 4, 1 1 M. Mahdi Davari Esfahani, Artem R. Oganov, ∗ Haiyang Niu, and Jin Zhang 1Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, State University of New York, Stony Brook, NY 11794-2100, USA 2Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 3 Nobel St., Moscow 143026, Russia 3Department of Problems of Physics and Energetics, Moscow Institute of Physics and Technology, 9 Institutskiy Lane, Dolgoprudny City, Moscow Region 141700, Russia 4International Center for Materials Design, Northwestern Polytechnical University, Xi’an,710072, China (Dated: August 13, 2021) Following the idea that hydrogen-rich compounds might be high-Tc superconductors at high pressures, and the very recent breakthrough in predicting and synthesizing hydrogen sulfide with record-high Tc = 203 K, ab initio evolutionary algorithm for crystal structure prediction was employed to find stable germanium hydrides. In addition to the earlier structure of germane with space group Ama2, we propose a new C2/m structure, which is energetically more favorable at pressures above 278 GPa (with inclusion of zero point energy). Our calculations indicate metallicity of the new C2/m phase of germane with Tc = 67 K at 280 GPa. Germane is found to exhibit thermodynamic instability to decomposition to hydrogen and the new compound Ge3H11 at pressures above 300 GPa. Ge3H11 with space group I4¯m2 is found to become stable at above 285 GPa with Tc = 43 K. We find that the pressure-induced phase stability of germanium hydrides is distinct from its analogous isoelectronic systems, e.g., Si-hydrides and Sn-hydrides. -
Russia Legal Provisions
Russia Legal Provisions Compiled by: SBH Russia Moscow, January 2018 GENERAL REMARKS Like Switzerland, the Russian Federation has three levels of government authority: the federal State, the so-called “subjects of the Federation” (republics, regions, etc.), and the municipalities (local self- government). The Russian Federation has 85 “subjects” including the cities of Moscow, Saint Petersburg and Sevastopol as cities of national importance (hereafter “Regions”) and approximately 22,000 municipalities. The legislation of the Russian Federation consists of the Constitution (adopted in 1993), federal laws and federal constitutional laws, presidential decrees, government resolutions and other regulatory acts. Laws must respect the Constitution. Presidential decrees, government resolutions and regulatory acts must be in conformity with federal laws. The Regions can enact legislation in those areas which are not within the exclusive authority of the federal State. They can also adopt regulatory acts on matters delegated by federal law. Regional legislation must comply with federal law. International treaties have precedence over national law. At the federal level laws are adopted by the Parliament (State Duma and Federation Council), presidential decrees and government resolutions by the President, respectively the Government. Other regulatory acts can be issued by ministries and various government agencies. Switzerland Global Enterprise – Legal Provisions 1/48 As a general rule laws and regulatory acts must be published. Since November 10, 2011, legislation is published (in Russian only) through the internet portal www.pravo.gov.ru and in “Rossiyskaya Gazeta” (www.rg.ru/doc). Most regulations adopted by ministries and agencies of the executive branch must be registered with the Ministry of Justice. -
Annual Report 2018 ABOUT THIS REPORT 02
AnnuAl RepoRt 2018 ABOUT THIS REPORT 02 1 / 2 ABOUT THIS REPORT Approach to the Report Boundaries of the Report Approval of the Report This Annual Report of Sberbank of Russia ¹ for 2018 (the “Report”) The financial data are presented in the Report Information on sustainable development is consoli- This Report received preliminary approv- in accordance with the IFRS consolidated financial dated by the major participants of the Group, which al by the Supervisory Board of Sberbank includes the performance results of Sberbank and its subsidiaries ² statements, unless otherwise specified in the text of have a significant impact on their regions of pres- (Minutes No. 11 of April 16, 2019). for the reporting period from January 1, 2018, to December 31, 2018. the Report. ence, and Sberbank Corporate University. The reliability of the data in the Report was con- Operational data are presented for PJSC Sberbank firmed by the Audit Committee of Sberbank. unless otherwise specified in the text of the Report. The Report has been prepared in accordance with In addition, the contents of the Report The Report was approved by the Annual General the legislation of the Russian Federation, including: comply with the following documents: Shareholder Meeting of Sberbank as of May 24, 2019 (Minutes No 32 as of May 29, 2019). ♦ Federal Law No. 39-FZ “On the Securities ♦ Requirements of the Moscow Stock The term “Group” as used in the sections “People: Nurturing New Skills in Effective Teams” Market” dated April 22,1996; Exchange on the preparation of annu- and “Impact on Society” includes Sberbank Corporate University and the following: al reports by joint stock companies; ♦ Federal Law No. -
1 May 18, 2021 PROGRAMME OF
May 18, 2021 PROGRAMME OF THE INDEPENDENT DIALOGUE in Support of the 2021 Food Systems Summit: «Different Routes - Similar Goals» Link for online participants: Connect to the Zoom Conference https://eurasia-assembly.zoom.us/j/84891899668 Conference ID: 848 9189 9668 Access code: 560798 Offline address: Moscow, Krasnopresnenskaya embankment, 12, World Trade Centre, Premier Hall of the Crown Plaza Moscow hotel Date and time: Tuesday, May 18, 2021, 14: 30-18.00 GMT + 3 Preamble to the Independent Dialogue: In November 2021, at the initiative of the UN Secretary General, the 2021 Food Systems Summit will take place to call for bold new actions to change the way the world produces and consumes food, reduce diet-related diseases, make the planet healthier and make progress in the implementation of all 17 Sustainable Development Goals. The International Union of Non-Governmental Organizations «Eurasian Peoples' Assembly» invites all interested non-governmental and government organizations to take part in this significant event taking a seat at the table of the Independent Dialogue «Different routes, similar goals» in support of the Food Systems Summit 2021 on May 18, 2021. Independent dialogue is an integral part of the events of the Global Food Forum - 2021, which develops the theme of the Summit. Time limit for speeches - up to 10 minutes Time limit for debates - up to 5 minutes Working language: Russian/English/French (simultaneous translation) Discussion format: independent dialogue, free exchange of views MODERATOR: MS. YULIA PETROVA Professor, Ph.D. in Economics, Deputy Head of the General Secretariat for International Cooperation of the Eurasian Peoples' Assembly MR. -
Nils Chr. Stenseth, Dr. Philos
1 Nils Chr. Stenseth, Dr. philos. Professor of Ecology and Evolution, University of Oslo, Norway Past President, Norwegian Academy of Science and Letter; Foreign member of US, French, Russian Academy of Science, and others www.mn.uio.no/cees/stenseth Areas of focus: Evolutionary biology Theoretical biology (ecology and evolution) Statistical modelling of time-space data (specifically time-series data) Effects of climate variation on ecological and evolutionary processes Disease modelling e.g. of plague (past and present), dengue, hanta and COVID-19 Positions Held includes Professor & Strategic Advisor at the Faculty of Mathematics and Natural Sciences, Univ. of Oslo 2018- Founding Chair of the Centre for Ecological and Evolutionary Synthesis (CEES), Univ. of Oslo 2007-2018 Research Professor of Ecology and Evolution, University of Oslo 2004- Professor of Zoology, University of Oslo 1990-2003 Professor of Population Dynamics, University of Oslo (until 1985 as Ass. Prof) 1980-1989 Associate Professor of Ecology, University of Lund, Sweden 1979-1982 Research Associate, University of Oslo 1975-1978 Education Dr. philos. University of Oslo, Norway. Thesis title; “Theoretical studies on fluctuating 1978 populations” (thesis defended on 04.03.1978) Cand. Mag. University of Oslo, Norway (Biology, Zoology, Mathematics, Statistics, Computer 1972 Science, Chemistry) Scientific Roles and Responsibilities includes Advisor to the Eötvös Loránd Research Network of the Hungarian Academy of Sciences (since 2019) Advisor to the Dean of Mathematics -
Quantum Crystallography: Current Developments and Future
DOI:10.1002/chem.201705952 Concept & Physical Chemistry Quantum Crystallography:CurrentDevelopments and Future Perspectives Alessandro Genoni,*[a] Lukas Bucˇinsky´,[b] NicolasClaiser,[c] JuliaContreras-García,[d] Birger Dittrich,[e] PaulinaM.Dominiak,[f] Enrique Espinosa,[c] Carlo Gatti,[g] Paolo Giannozzi,[h] Jean-Michel Gillet,[i] Dylan Jayatilaka,[j] Piero Macchi,[k] AndersØ.Madsen,[l] Lou Massa,[m] ChØrifF.Matta,[n] Kenneth M. Merz,Jr. ,[o] Philip N. H. Nakashima,[p] Holger Ott,[q] Ulf Ryde,[r] Karlheinz Schwarz,[s] Marek Sierka,[t] and SimonGrabowsky*[u] Chem. Eur.J.2018, 24,10881 –10905 10881 2018 Wiley-VCH Verlag GmbH &Co. KGaA, Weinheim Concept Abstract: Crystallographyand quantum mechanics have Nevertheless, many other active andemerging research always been tightly connected because reliable quantum areas involving quantum mechanics andscattering experi- mechanical models are neededtodetermine crystal struc- ments are not covered by the originaldefinition although tures. Due to this natural synergy,nowadays accurate distri- they enable to observeand explain quantum phenomenaas butions of electrons in space can be obtained from diffrac- accurately and successfully as theoriginalstrategies. There- tion and scattering experiments.Inthe original definition of fore, we give an overview over current research that is relat- quantum crystallography (QCr) given by Massa,Karle and ed to abroader notion of QCr,and discuss optionshow QCr Huang, direct extraction of wavefunctions or density matri- can evolve to become acomplete and independent domain ces from measured intensities of reflectionsor, conversely, of natural sciences. The goal of this paper is to initiate dis- ad hoc quantum mechanical calculations to enhancethe ac- cussionsaround QCr,but not to find afinal definition of the curacy of the crystallographic refinement are implicated.