Science & Technology in Russia November
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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. -
Innovation Performance Review of Kazakhstan
UNECE UNITED NATIONS ECONOMIC COMMISSION FOR EUROPE Innovationn Innovation Performance Performance o I n i n o v Review a t i o Reviewt The Innovation Performance Review contains the n P e findings of a participatory policy advisory service r f undertaken at the request of the national authorities. o rm It considers possible policy actions aimed at a a stimulating innovation activity in the country, n c enhancing its innovation capacity and improving the e R efficiency of the national innovation system. e v i e w This publication is part of an ongoing series - K a highlighting some of the results of the UNECE v z Subprogramme on Economic Cooperation and a k Integration. The objective of the Subprogramme is to h s t promote a policy, financial and regulatory a environment conducive to economic growth, n knowledge-based development and higher o competitiveness in the UNECE region. n UNITED NA KAZAKHSTAN n TIONS I UNITED NATIONS United Nations Economic Commission for Europe INNOVATION PERFORMANCE REVIEW OF KAZAKHSTAN UNITED NATIONS New York and Geneva, 2012 NOTE The designations employed and the presentation of the material in this publication do not imply the expression of any opinion whatsoever on the part of the Secretariat of the United Nations concerning the legal status of any country, territory, city or area, or of its authorities, or concerning the delimitation of its frontiers or boundaries. This volume is issued in English and Russian only. ECE/CECI/14 Copyright © United Nations, 2012 All right reserved Printed at United Nations, Geneva (Switzerland) UNITED NATIONS PUBLICATIONS iii FOREWORD The Innovation Performance Review of Kazakhstan continues the series of national assessments of innovation policies initiated by the pilot Innovation Performance Review of Belarus. -
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. -
I. ANNEX – Country Reports
I. ANNEX – Country Reports 97 State of Affairs of Science, Technology and Innovation Policies 97 I.1 Country Report Armenia in cooperation and coordination with other concerned ministries and organisations. In order to improve policy-making and promote the coordination in the field of S&T, in October 2007 the government decided to establish the State Commit- tee of Science empowered to carry out integrated S&T policy in the country. This structure is answerable to the Ministry of Education and Science, but with wider power of independent activity. The Committee is also responsible for the development and implementation of research programmes in the country through three main I.1.1 Current State of S&T & Major financing mechanisms: thematic (project based) financ- Policy Challenges ing, basic financing and special purpose projects73. The law on the National Academy of Sciences of Arme- I.1.1.1 S&T Indicators nia (NAS RA) was adopted by Parliament on 14 April, 2011, which assigned to it the status of highest self- TABLE 5: S&T LANDSCAPE 201072 governing state organisation and empowered it to coor- dinate and carry out basic and applied research directed R&D Number of Number of to the creation of a knowledge-based economy, and Expenditure research researchers the social and cultural development of the country. This as % of GDP organisations Law gave more power to the Academy and its research institutes in carrying out business activities towards the 0.27 81 5,460 commercialisation of R&D outcomes and the creation of spin-offs. I.1.1.2 Research Structure and Policy In May 2010, the Government adopted the Strategy A pressing challenge for Armenia is the reformation on Development of Science in Armenia, which outlined of its S&T and innovation system in accordance with the state policy towards the development of science the requirements of the market economy and needs of from 2011 to 2020. -
The Economic Adjustment and Polarisation of Russia's Cities
Uneven urban resilience: the economic adjustment and polarisation of Russia's cities Oleg Golubchikov, Cardiff University1 Alla Makhrova, Moscow State University Anna Badyina, University of Southampton Isolde Brade, Leibniz Institute for Regional Geography Published as: Golubchikov, O., Makhrova, A., Badyina, A. and Brade, I. (2015). Uneven urban resilience: the economic adjustment and polarization of Russia's cities. In: Lang, T. et al. (eds.) Understanding Geographies of Polarization and Peripheralization: Perspectives from Central and Eastern Europe and Beyond. Basingstoke: Palgrave Macmillan, pp. 270-284. Introduction The multidimensional processes of transition to a market economy have produced a radical rupture to the previous development of Russian cities. Many factors driving urban change under the Soviet system, both of ideological and material nature, have lost their legitimacy or significance under the capitalist regime of accumulation and regulation. Thus, no longer perceived as a purpose-built machine for a meaningful evolution to a fair and egalitarian communist society as before, each city has been exposed to the ideology of the free market and pushed to acquire a new niche in the nexus of global and local capitalist flows. Not all cities equally succeeded in this endeavour. Indeed, already under the conditions of general economic disorganisation and harsh economic downturn introduced by the poorly performed neoliberal reforms of the early 1990s, different urban regions started demonstrating divergent trajectories of their economic performance, including severe marginalisation and peripheralisation by some and more successful adaptation by others. Those processes of initial spatial differentiation have proven to become self-perpetuating even under the conditions of ‘restorative’ growth experienced in Russia between 1998 and 2008, as well as the ensuring period of more bumpy economic growth. -
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. -
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. -
EGU2010-484, 2010 EGU General Assembly 2010 © Author(S) 2009
Geophysical Research Abstracts Vol. 12, EGU2010-484, 2010 EGU General Assembly 2010 © Author(s) 2009 Iron Silicides at the Earth’s inner core conditions Feiwu Zhang (1) and Artem Oganov (2,3) (1) Curtin University of Technology, Nanochemistry Research Institute, Perth, Australia ([email protected], +61-(0)8-9266-4699), (2) Department of Geosciences, Department of Physics and Astronomy, and New York Center for Computational Sciences, Stony Brook University, Stony Brook, NY 11794-2100, USA. ([email protected]), (3) Geology Department, Moscow State University, 119992 Moscow, Russia. The Earth’s core plays a fundamental role in the evolution of our planet. It has liquid outer and solid inner regions, and it is accepted that the inner core is formed as a result of cooling and crystallization of the outer core. It is expected to contain around 10 wt % light elements (S, Si, O, possibly C, H, etc.) alloyed with Fe and Ni. Very little is known about these alloys at pressures and temperatures of the core. Silicon has been proposed to be a major alloying light element in the Earth’s core based on its cosmochemical abundance, the solubility in liquid Fe at high pressures and temperatures and the thermoelastic properties in Fe-Si alloys. Studying the phase relations and the stabilities of the Fe silicides at the Earth’s inner core conditions is thus essential for our understanding of Earth’s core. Using the evolutionary crystal structure prediction methodology, we could investigate Fe-Si compounds at pressures of up to 400 GPa, i.e. covering the pressure range of the Earth’s core. -
Are Science Cities Fostering Firm Innovation?
PRELIMINARY AND INCOMPLETE – DO NOT CITE Are Science Cities Fostering Firm Innovation? Evidence from Russia’s Regions 1 Helena Schweiger Paolo Zacchia European Bank for Reconstruction and University of California – Berkeley Development [email protected] [email protected] February 2015 Abstract: Using a mixture of data from the recent regionally representative Business Environment and Enterprise Performance Survey (BEEPS) in Russia as well as municipal level data, we find that there are significant differences in innovation activity of firms and cities across the Russian regions. We investigate whether this could be explained by the proximity to science cities – towns with a high concentration of research and development facilities, as well as human capital. They were selected and given this status in a largely random way during Soviet times. We match the science and non-science cities on their historic and geographical characteristics and compare the innovation activity (R&D, product and process innovation) of firms in science cities with the innovation activity of similar-in-the-observables firms in similar, non-science cities. Preliminary evidence suggests that firms located in science cities were more likely to engage in product and process innovation than firms located in similar, non-science cities. The results have important policy implications because many countries in the world, including developing countries, have been introducing science parks or other areas of innovation, viewing them as a type of silver bullet with the capability of dramatically improving a country’s ability to compete in the global economy and help the country to grow. JEL Classification: O33, O38, O14 Keywords: Innovation, Russia, science cities 1 We would like to thank Natalya Volchkova, Sergei Guriev and Maria Gorban for helpful discussions and Irina Capita, Jan Lukšič, Alexander Stepanov and Maria Vasilenko for excellent research assistance.