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Regular version of the site

International Laboratory for Supercomputer Atomistic Modelling and Multi-scale Analysis

Publications
Book
Mathematical Modeling of Emission in Small-Size Cathode

Danilov V., Gaydukov R., Vadim Kretov.

Springer, 2020.

Article
Molecular dynamics simulation of hydrocalumite as adsorbent for anionic radionuclides

Glushak A., Tararushkin E., Smirnov G. et al.

Applied Geochemistry. 2024. Vol. 170.

Book chapter
GPU-Accelerated Matrix Exponent for Solving 1D Time-Dependent Schrödinger Equation

Choi Y. R., Stegailov V.

In bk.: Supercomputing: 9th Russian Supercomputing Days, RuSCDays 2023, Moscow, Russia, September 25–26, 2023, Revised Selected Papers, Part I. Springer, 2023. P. 100-113.

Sharing the Road to Аdventure

Research Fellow Grossi Joas Santiago shares his thoughts on work experience with other colleagues:

Illustration for news: Scientists Model Turbulence at Atomic Level

Scientists Model Turbulence at Atomic Level

Scientists at HSE University and MIPT have developed a supercomputer-based method to model fluid flows at atomistic scales making it possible to describe the emergence of turbulence. The researchers used the supercomputers cHARISMa and Desmos to compute the flow of a fluid consisting of several hundred million atoms. This method is already being used to simulate the flow of liquid-metal lead coolant in a nuclear reactor. The paper has been published in The International Journal of High Performance Computing Applications.

Junior Research Fellow SAMMA Mikhail Khalilov gave a talk at Supercomputing 2021

On Sunday, 14 November 2021, Junior Research Fellow SAMMA Mikhail Khalilov gave a talk with “Leveraging Interconnect QoS Capabilities for Congestion-Aware MPI Communication” (Authors: Mikhail Khalilov (Huawei Technologies Ltd; National Research University Higher School of Economics, Moscow, Russia) and Aliaksei Slinka and Qingwei Zhang (Huawei Technologies Ltd)) on Workshop: ExaMPI: Workshop on Exascale MPI at The International Conference for High Performance Computing, Networking, Storage, and Analysis Supercomputing 2021.

School-Seminar "Current State and Perspectives of Atomistic and Multi-Scale Computer Modeling for Fundamental Science and Technology"

On Friday, October 15, School-Seminar "Current State and Perspectives of Atomistic and Multi-Scale Computer Modeling for Fundamental Science and Technology" was held at MIEM.

Illustration for news: Open-Source GPU Technology for Supercomputers: Researchers Navigate Advantages and Disadvantages

Open-Source GPU Technology for Supercomputers: Researchers Navigate Advantages and Disadvantages

Researchers from the HSE International Laboratory for Supercomputer Atomistic Modelling and Multi-scale Analysis, JIHT RAS and MIPT have compared the performance of popular molecular modelling programs on GPU accelerators produced by AMD and Nvidia. In apaper published by the International Journal of High Performance Computing Applications, the scholars ported LAMMPS on the new open-source GPU technology, AMD HIP, for the first time.

PPAM Best Paper Award

The International Conference on Parallel Processing and Applied Mathematics (PPAM) Best Paper Award is given in recognition of the research paper quality, originality and significance of the work in high performance computing.

Illustration for news: Workshop "Atomistic modelling of soft matter and nanostructures"

Workshop "Atomistic modelling of soft matter and nanostructures"

On Friday, June 28, workshop "Atomistic modelling of soft matter and nanostructures" was held. Professor Nikolay Piezjev gave a talk "Molecular origin of surface tension at liquid-vapor interfaces".

Illustration for news: Workshop "Supercomputer technologies and atomistic modeling"

Workshop "Supercomputer technologies and atomistic modeling"

The regular workshop organized by the International Laboratory for Supercomputer Atomistic Modelling and Multi-scale Analysis presented reports on the modern development of supercomputer technologies, on the HSE supercomputer, and on the results of solving various real problems using atomic modeling.

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.