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Regular version of the site

International Laboratory for Supercomputer Atomistic Modelling and Multi-scale Analysis

Publications
Article
Specific refolding pathway of viscumin A chain in membrane-like medium reveals a possible mechanism of toxin entry into cell.

Efremov R., Нольде Д. Е., Волынский П. Е. et al.

Scientific Reports. 2019. Vol. 9. No. 413. P. 1-12.

Book chapter
Deploying Elbrus VLIW CPU ecosystem for materials science calculations: performance and problems

Stegailov V., Timofeev A.

In bk.: Суперкомпьютерные дни в России: Труды международной конференции (24-25 сентября 2018 г., г. Москва).. M.: МГУ, 2018. P. 149-159.

Illustration for news: Second School-seminar "Supercomputers in scientific research: the horizons of multiscale modeling and effective supercomputer co-design"

Second School-seminar "Supercomputers in scientific research: the horizons of multiscale modeling and effective supercomputer co-design"

As part of the promotion of modern supercomputer technologies for the needs of scientific research, SAMMA laboratory organized the second school-seminar "Supercomputers in scientific research: the horizons of multi-scale modeling and effective supercomputer co-design". This event brings together developers of advanced supercomputer technologies and scientists who use high-performance computing in their research. The first day was devoted to the analysis of new technical solutions for high-performance computing, and the second to applications of supercomputer modeling, molecular dynamics simulations in the real problems of materials science and molecular biology.

Illustration for news: Laboratory staff members presented the talks at the National Supercomputer Forum (NSCF-2018)

Laboratory staff members presented the talks at the National Supercomputer Forum (NSCF-2018)

Mikhail Khalilov, Alexander Semenov and Vladimir Stegailov made presentations at the National Supercomputer Forum (NSCF-2018), which was held November 27-30, 2018 in the Aylamazyan Program Systems Institute of RAS, Pereslavl-Zalessky.

Illustration for news: Laboratory members took part in the HSE science festival "Lunokhod-1"

Laboratory members took part in the HSE science festival "Lunokhod-1"

On October 27, Higher School of Economics held the Lunokhod-1 science festival in the Digital October convention centre. Our laboratory presented an interactive supercomputer demonstration booth at the event. D.Sc. V.V.Stagailov delivered a popular science report “Why do we need supercomputers, how to design and use them?”.

Illustration for news: Vsevolod Nikolskiy enrolled in the "Full-time Advanced Doctoral Programme" of HSE

Vsevolod Nikolskiy enrolled in the "Full-time Advanced Doctoral Programme" of HSE

The junior research fellow of the laboratory Vsevolod Nikolskiy won the competition for admission to the "Full-time Advanced Doctoral Programme-2018" in the specialty "Computer and Information Sciences".

Illustration for news: International conference "Biomembranes 2018"

International conference "Biomembranes 2018"

International Conference "Biomembranes 2018" was held in October at MIPT. Laboratory fellows Roman Efremov and Anton Chugunov present lectures and Andrey Kuznetsov took part in poster session.

Illustration for news: International conference Russian Supercomputing Days 2018

International conference Russian Supercomputing Days 2018

Russian Supercomputing Days is a key Russian supercomputer conference with international participation that annually gathers in Moscow the leading scientists and experts in high-performance computing and computer science. This year, the staff of the International Laboratory for Supercomputer Atomistic Modelling and Multi-scale Analysis took part in the conference (Nikolay Kondratyuk, Vsevolod Nikolskiy, Genri Norman, Alexander Semenov, Alexey Timofeev and Mikhail Khalilov).

Illustration for news: 15th Russian Symposium FAMMS-2018 (Foundations of Atomistic Multiscale Modeling and Simulation)

15th Russian Symposium FAMMS-2018 (Foundations of Atomistic Multiscale Modeling and Simulation)

In August, the 15th symposium Foundations of Atomistic Multiscale Modeling and Simulation (FAMMS-2018) was held. Staff of the international laboratory SAMMA took part in it.

Illustration for news: International Conference on Advanced Communications and Computation (INFOCOMP 2018)

International Conference on Advanced Communications and Computation (INFOCOMP 2018)

In July, the eighth conference of series International Conference on Advanced Communications and Computation (INFOCOMP) was held. The laboratory fellow Vsevolod Nikolskiy made there a report.

Illustration for news: Lecture by professor Nikolay Priezjev on wetting properties of structured surfaces explored by MD simulations

Lecture by professor Nikolay Priezjev on wetting properties of structured surfaces explored by MD simulations

On Friday, June 8, seminar "Supercomputer and Multiscale Modelling of Condensed Phase and Biological Systems" was held. Professor Nikolay Piezjev gave a talk on investigation of wetting properties of of structured interfaces in 2 parts.

Illustration for news: Lecture on Atomistic Mechanism of the Constitutive Activation of PDGFRA Via Its Transmembrane Domain

Lecture on Atomistic Mechanism of the Constitutive Activation of PDGFRA Via Its Transmembrane Domain

On Tuesday, May 15, seminar "Supercomputer and Multiscale Modelling of Condensed Phase and Biological Systems" was held. A. Polyansky from IBCh RAS gave a talk "Atomistic mechanism of the constitutive activation of PDGFRA via its transmembrane domain". The result of this study was the molecular model of PDGFRa receptor activation, and the role of its oncogenic mutant form have been revealed. On the second part of the seminar students of SAMMA Laboratory reported on their projects.