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Seminar «Supercomputer technologies in science, education and industry»

Chairman of the organizing committee:

  • Sadovnichy V.A., academician, rector of Lomonosov Moscow State University

Co-Chairs of the organizing committee:

  • Voevodin Vl.V., Corr. RAS, Director of Research Computing Center of Moscow State University
  • Sokolov I.A., academician, dean of the faculty of Computational Mathematics and Cybernetics of Lomonosov Moscow State University

Scientific Secretary of the seminar:

  • Mortikov E.V., Ph.D., Research Computing Center of Moscow State University

The seminar was organized on the basis of the Scientific and Educational Center «Supercomputer Technologies». The reports cover all aspects of the use of supercomputers, parallel computing systems and distributed data processing methods for solving large computational problems. The seminar has a pronounced interdisciplinary nature, however, the various nuances of using supercomputer technologies are of interest to researchers from various fields.

The seminar is supported by the Moscow Center of Fundamental and Applied Mathematics.

PROGRAM
16:30
A.V. Nemukhin Dr. chem. Sci., Professor, Head of Laboratory, Department of Chemistry, Moscow State University
B.L. Grigorenko Dr. Phys.-Math. Sci., Chief Researcher, Faculty of Chemistry, Moscow State University
S.V. Lushchekina Cand. chem. Sci., N.M. Emanuel Institute of Biochemical Physics RAS
I.V. Polyakov Cand. physical-mat. Sci., Researcher, Faculty of Chemistry, Moscow State University
M.G. Khrenova Cand. physical-mat. Sci., Leading Researcher, Faculty of Chemistry, Moscow State University
V.A. Mironov Cand. physical-mat. Sci., Senior Researcher, Faculty of Chemistry, Moscow State University
A.S. Kichkailo Dr. Biol. Sci., Leading Researcher, Federal Research Center KSC SB RAS
F.N. Tomilin Cand. chem. Sci., Senior Researcher, Federal Research Center KSC SB RAS
D. Morozov Postdoctoral Researcher, Nanoscience center, University of Jyvaskyla, Jyvaskyla, Finland
G. Groenhoff Professor, Nanoscience center, University of Jyvaskyla, Jyvaskyla, Finland
D. Fedorov National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Japan

Supercomputer modeling of biomolecular processes associated with coronavirus

In the spring and early summer of 2020, there was a surge in media activity around the world of specialists in computer modeling of biomolecular processes related to the SARS-CoV-2 coronavirus and to the problems of treating COVID-19. Speaking in calmer tones, this area is extremely important and interesting for research, since it includes a new range of issues related to the precise description of the interactions of macromolecules with each other and with low-atomic chemical compounds, fundamental issues of enzymatic catalysis, and the functioning of complex nanoscale molecular machines. The two messages, united by this topic, will present the results of a study of some biomolecular processes associated with the life cycle of the coronavirus, as well as the study of potential medicines for the diagnosis and treatment of COVID-19. The work was performed using molecular dynamics and quantum mechanics / molecular mechanics methods on modern supercomputers.

 


 Due to the self-isolation regime, the seminar will be held in the form of a webinar on the Zoom platform.

To participate in the webinar, we ask you to enter your data in the Google spreadsheet:

https://docs.google.com/spreadsheets/d/1_HHNH-8JQdkX60nJEOPMCg-bzs2LE3iiuHDvbeqdB6g/edit?usp=sharing

A link to the Zoom conference will subsequently be sent to your email address.

Instructions for installing and using the Zoom platform are available here:

https://support.zoom.us/hc/ru/articles/201362033-Начало-работы-на-ПК-и-Mac