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News
November 10, 2026
Physicists Train AI to Optimise Particle Beams in Accelerators
Researchers from the AI and Digital Science Institute at the HSE Faculty of Computer Science and the Budker Institute of Nuclear Physics at the Siberian Branch of the Russian Academy of Sciences have developed RLABC (Reinforcement Learning for Accelerator Beamline Control), a framework that uses reinforcement learning to identify optimal settings for a particle accelerator. In a computer simulation, RLABC optimised the accelerator's parameters to achieve a particle transmission rate of 70%. The study has been published in Computer Physics Communications.
November 9, 2026
'Organ-on-a-Chip Technology Could Eliminate the Need for Animal Testing'
The Laboratory of Molecular Physiology at the HSE Faculty of Biology and Biotechnology investigates how molecular regulators known as microRNAs control gene expression and contribute to the development of diseases, including cancer, viral and inflammatory conditions, and pregnancy complications. At HSE University, researchers develop organ-on-a-chip models: miniature devices containing living cells that mimic the functions of human organs, such as the placenta and intestines. These models help researchers understand how diseases develop and how drugs affect them. HSE News Service spoke with Evgeny Knyazev, Head of the Laboratory.
November 9, 2026
Flattened Terrain Models Underestimate Vehicle-to-Vehicle Communication Outages
Researchers at HSE MIEM have shown that widely used simulators of vehicle-to-vehicle communication significantly overestimate its reliability because they assume flat terrain. When terrain features, bridges, and tunnels are taken into account, the outage rate on a mountain serpentine road rises from 21% to 30%, on an overpass from 20% to 33%, and in a tunnel from 0% to 80%. The results have been published in Future Transportation.

 

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GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP

International Journal of High Performance Computing Applications. 2021. Vol. 35. No. 4. P. 312–324.
Kondratyuk N., Nikolskiy V., Pavlov D., Stegailov V.

Classical molecular dynamics (MD) calculations represent a significant part of the utilization time of high-performance computing systems. As usual, the efficiency of such calculations is based on an interplay of software and hardware that are nowadays moving to hybrid GPU-based technologies. Several well-developed open-source MD codes focused on GPUs differ both in their data management capabilities and in performance. In this work, we analyze the performance of LAMMPS, GROMACS and OpenMM MD packages with different GPU backends on Nvidia Volta and AMD Vega20 GPUs. We consider the efficiency of solving two identical MD models (generic for material science and biomolecular studies) using different software and hardware combinations. We describe our experience in porting the CUDA backend of LAMMPS to ROCm HIP that shows considerable benefits for AMD GPUs comparatively to the OpenCL backend.

Research target: Computer Science
Priority areas: IT and mathematics
Language: English
DOI
Text on another site
Keywords: CUDAOpenCLatomistic simulationsLAMMPSPortabilityGromacsAMD ROCm HIPOpenMM
Publication based on the results of:
Supercomputer technologies, theory and atomistic multiscale modeling in materials physics and life sciences (2022)
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