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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
Towards performance analysis of GPU-aware MPI over Angara interconnect

Ismagilov T., Mukosey A., Smirnov F. et al.

International Journal of High Performance Computing Applications. 2026. Vol. 40. No. 2. P. 240-253.

Book chapter
Scaling Up Molecular Hydrodynamics of Non-Laminar Flows with GPU-Aware MPI

Khnkoian G., Galigerov V., Grishichkin Y. et al.

In bk.: Parallel Computational Technologies, 19th International Conference, PCT 2025, Moscow, Russia, April 8–10, 2025, Revised Selected Papers. (CCIS, volume 2891). Vol. 2891. Springer, 2026. P. 532-545.

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.

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.