... Acceleration of molecular dynamics simulations using the fast multipole method and graphics processing units" . ... High-performance computations are achieved via the fast multipole method (FMM) for force calculation and the use of heterogeneous architectures, consisting of central and graphics processing units (CPU and GPU, respectively). ... Keywords: molecular dynamics, electrostatic interaction, fast multipole method, FMM, heterogeneous computations, GPU . ...

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• "Application of supercomputers for the molecular dynamics simulation of
• "Molecular dynamics using graphics processors and CUDA technology"
• "Parallel molecular dynamics with Ewald summation and integration on GPU"

Электронная библиотека Попечительского совета . ... Hoover W.G. - Molecular Dynamics . ... Название: Molecular Dynamics . Автор: Hoover W.G. Язык: . ... Isothermal molecular dynamics 94 . ... Mesoscopic dynamics of dislocation motion 124 . ... Newtonian molecular dynamics 72 . ... Nonlinear diffusion coefficient from molecular dynamics 113 . ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Ciccotti G., Hoover W.G. - Molecular-dynamics simulation of
• Heermann D.W. - Computer Simulation Methods in Theoretical Physics ::
• Shen C. - Rarefied gas dynamics. Fundamentals, simulations and micro flows ::

Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Medvedev E.S. , Kotelnikov A.I. , Goryachev N.S. , Psikha B.L. , Ortega J.M. , Stuchebrukhov A.A. в журнале Molecular Simulation , издательство Taylor & Francis (United Kingdom) , том 32, ? ... Lemak A.S. , Balabaev N.K. в журнале Molecular Simulation , издательство Taylor & Francis (United Kingdom) , том 13, ? ...

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• Mazo M.A. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Frederick J.H. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Kovaleva N.A. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... Keldysh Institute of Applied Mathematics of RAS . DRIVER: 3D numerical modelling of high energy density plasma physics . ... AREA: Plasma Physics . ... IMPACT: The expected results of numerical experiments will help to explain the observed statistical characteristics of molecular hydrogen clouds in external galaxies. ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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• APPLICATIONS: Organic Chemistry | Moscow University Supercomputing Center
• APPLICATIONS: High Molecular Weight Compounds | Moscow University

GROMACS . GROMACS is a molecular dynamics on parallel computers with MPI or PVM . ... Standard Molecular Dynamics simulations . ... Flexible force field usage . Non-Equilibrium Molecular Dynamics . ... Where PVM or MPI is available . ... PVM or MPI . ... SAL Home | Other Scientific Fields | Chemistry, Biology Related . ... SAL@KachinaTech.COM . ...

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• SAL- Other Scientific Fields - Chemistry, Biology Related - MOSCITO
• SAL- Other Scientific Fields - Chemistry, Biology Related - Biomer
• SAL- Other Scientific Fields - Physics Astronomy - ABINIT

... Полная версия этой страницы: PhD position in molecular dynamics, nanoscience, USA . Студенческий форум Физфака МГУ > Физфак и учеба > Аспирантура . ... Applications are invited for PhD studies focused on theoretical and computational design and modeling of novel (hybrid) nanoscale systems, operated by . ... The candidates will learn how to use ab-initio electronic structure and quantum transport methods, molecular dynamics simulations, . ...

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• PhD position in molecular dynamics, nanoscience, USA - Студенческий форум

... Proceedings 2009 . Proceedings 2008 . Proceedings 2007 . Proceedings 2006 . Proceedings 2005 . Proceedings 2004 . ... The code DYNAMICS [1] for modeling of wide class non-idial systems in frame of the method of classical molecular dynamics was created by authors. The code is provided with friendly interface and advanced facilities of graphical presentation of results of compulational experiments. 2004 Designed by Lyceum of Informational Technologies ?1533 . ...

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... The conjecture that limited basis diatomics-in-molecules type potentials may serve as an accurate representation of many-body interactions is explored through molecular dynamics simulations of ArnHF (n=1-12,62). ... Once the admixture between ionic and covalent configurations is calibrated by reference to an ab initio surface of the ArHF dimer, a single three-body potential energy surface is defined, and used in subsequent simulations of larger clusters. ...

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• Molecular orientational dynamics and some chemical aspects of fullerite C60
• Moscow University Chemistry Bulletin Vol. 48, No. 4, P. 219 (2007)
• Andrey Kh. Vorobiev

... 247th American Chemical Society National Meeting and Exposition "Chemistry and materials for energy" , March 16-20, Dallas, TX Talk: A.V. Nemukhin "QM/MM-based modeling of structure and spectra of fluorescent proteins" . ... IV International Symposium "Topical Problems of Biophotonics", July 21-27, Nizhny Novgorod Invited talk: M.G. Khrenova , A.V. Nemukhin, A.P. Savitsky "Molecular modeling of the Forster resonance energy transfer between fluorescent proteins" . ...

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• History
• Current Projects

Restraint-based 3D Shape Manipulation Method using Hand Gestures for Interactive Molecular Dynamics Ryohei Suzuki, Daisuke Komura, Shumpei Ishikawa Department of Genomic Pathology, Medical Research Institute, Tokyo Medical and Dental ... 4] Thus the input method for specifying external forces given to atoms is a central problem of IMD system design. ... 2001) A system for interactive molecular dynamics simulation, In Proceedings of the 2001 symposium on Interactive 3D graphics (pp. ...

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• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/246.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/41.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/197.pdf

... Molecular structure and dynamics of the dimeric human small heat shock protein HSPB6. ... ATP-independent small heat-shock proteins (sHSPs) are an essential component of the cellular chaperoning machinery. ... We addressed the three-dimensional structure and functional properties of HSPB6 in a hybrid study employing X-ray crystallography, solution small-angle X-ray scattering (SAXS), mutagenesis, size-exclusion chromatography and chaperoning assays. ...

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• Structural basis for regulation of stability and activity in

... From the READ.ME: #You may need to "hand-tune" compiler or optimization options, #which may be specified by setting the OPT and OPT2 environment #variables. ... OPT = ${ CFLAGS } \ OPT2 = ${ CFLAGS } ${ CFLAGS _ OPT } \ CC=$(tc-getCC) \ econf } src_compile() { emake # To prevent sandbox violations by metafont if use doc ; then VARTEXFONTS= ${T} /fonts emake moldy.pdf fi } src_install() { dodir / usr /bin emake prefix= ${ED} / usr install dodoc BENCHMARK READ.ME RELNOTES if use ...

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Molecular mechanism of activation of cytokinin receptors, playing crucial role in plant growth and development . ... Modeling of the glutamate NMDA receptor, design and virtual screening of its ligands as potential neuroprotector agents to treat Alzheimer's disease, Parkinson disease and schizophrenia . ... Design of small molecule antiviral compounds against tick-borne encephalitis, dengue fever, and other diseases caused by flaviviruses . ... Research . ... 2016 Laboratory of Medicinal Chemistry ...

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• Flavivirus Reproduction Inhibitors - Laboratory of Medicinal Chemistry

... C1 [Sponer, Jiri] Acad Sci Czech Republic, Inst Biophys, CS-61265 Brno, Czech Republic. ... RP Sponer, J (reprint author), Acad Sci Czech Republic , Inst Biophys, Kralovopolska 135, CS-61265 Brno, Czech Republic EM sponer@ncbr.chemi.muni.cz golovin@belozersky.msu.ru FU Russian Foundation for Basic Research[11-04-02084-a]; Ministry of Education and Science of Russian Federation[16.512.11.2009]; Russian Academy of Sciences ; Grant Agency of the Academy of Sciences of the Czech...

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• http://dualopt1.cmm.msu.ru/pub/Projects/ParmBsc0/jctc.ciw

Conjugate gradients optimization # Step Current energy Av shift Mx shift Funcs Gradient 0 107068.13281 0.0000 0.0000 1 4.5561e+06 10 2904.73755 0.1309 2.5680 21 23432.1 20 1928.50061 0.0309 0.6154 41 14705.2 30 1247.77271 0.1627 4.1404 61 33476 ... 761.304 70 490.75891 0.0067 0.0894 141 918.696 80 448.73297 0.0193 0.3068 161 1099.83 90 415.62772 0.0040 0.1173 181 212.597 # Conjugate gradients optimization # Step ...

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• http://kodomo.fbb.msu.ru/~blackdaffodil/term6/Practice9/seq.D00000002
• http://kodomo.cmm.msu.ru/~zhuravlka/term6/pr10/seq.D00000004
• http://kodomo.cmm.msu.ru/~zhuravlka/term6/pr10/seq.D00000001

... Practicum on polymer chemistry and physics. 4th year (autumn semester) . ... Determination of molecular mass of polymer by viscometry. ... Evaluation of elasticity modulus of polymer gels using compression method. 3 new problems for this practicum have been set up in September, 1998: . ... Molecular design of polymers and computer synthesis of polymers with desired properties (INEOS). Methods of preparation of thin organic films: . ... Frederiks transition in thin films of liquid crystals (INEOS). ...

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• PROJECT 01-0172
• Polymers with Associating Groups (experiment + theory + computer experiment) -
• Web Page of Alexey Shaytan

... B. A. Grishanin, Quantum Electrodynamics for Physicists, 1983 (Moscow State Univ: Moscow), in Russian. B. A.Grishanin, V. M.Petnikova, and V. V. Shuvalov, Non-stationary Four-Photon Spectroscopy of Semiconductors, In: Modern Problems in Laser Physics, vol. 2, 1990 (VINITI: Moscow), in Russian. ... Laser Physics, 3, pp. ... B. A. Grishanin and V. N. Zadkov, ?Natural capacity of a system of two two-level atoms as a quantum information channel,? ... 2016 Quantum Information Laboratory. ...

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... Lectures, Questions & Answers . ... Evgeny V. Antipov (Faculty of Chemistry, Moscow State University) New cathode materials for lithium batteries . Questions and Answers . ... Questions . Vladimir I. Feldman (Faculty of Chemistry, Moscow State University) Physics and chemistry of solvated electron . ... Galina A. Tsirlina (Faculty of Chemistry, Moscow State University) Diversity of electrochemistry: the specific problems of molecular models and their experimental verification . ...

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... Форумы > Аспирантура > Тема . ... PhD позиция в Гренобле, Франция . Горячая PhD-позиция на альпийском курорте во Франции!! ... Шлите резюме на stephane.redon_at_inria.fr, s.grudinin_at_fz-juelich.de . ... Title: Generalized Adaptive Molecular Dynamics . ... One way to understand molecular mechanisms is through modeling and simulation. ... We now want to generalize the adaptive simulation theory. ... Сайт работает с 29.08.2000, Copyright 2000 2011 MMOnline.Ru and MMForce.Net, . ...

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• Nonlinear Dynamics''s Page