HPC resources of the higher school of economics

PS Kostenetskiy, RA Chulkevich… - Journal of Physics …, 2021 - iopscience.iop.org
Abstract The National Research University Higher School of Economics launched its HPC
cluster and created a new division named the Supercomputer Simulation Unit. Now the …

Predicting shear viscosity of 1, 1-diphenylethane at high pressures by molecular dynamics methods

ND Kondratyuk, VV Pisarev - Fluid Phase Equilibria, 2021 - Elsevier
In this paper, we use the molecular dynamics methods to predict the pressure-viscosity
dependencies of model lubricant 1, 1-diphenylethane up to 800 MPa along three isotherms …

Frenkel pair formation energy for cubic Fe3O4 in DFT+ U calculations

MI Shutikova, VV Stegailov - Journal of Physics: Condensed …, 2022 - iopscience.iop.org
The cubic phase of magnetite is stabilized above the Verwey transition temperature of about
120 K via a complex electron–phonon interaction that is still not very well understood. In this …

First-principles molecular dynamics of exciton-driven initial stage of plasma phase transition in warm dense molecular nitrogen

ID Fedorov, VV Stegailov - The Journal of Chemical Physics, 2024 - pubs.aip.org
Understanding the properties of molecular nitrogen N 2 at extreme conditions is the
fundamental problem for atomistic theory and the important benchmark for the capabilities of …

Predicting viscosity-concentration dependencies of binary organic mixtures using molecular dynamics methods

OV Kashurin, VI Deshchenya, ND Kondratyuk - Fluid Phase Equilibria, 2025 - Elsevier
The shear viscosity of organic liquids is very important for industrial applications. This paper
focuses on the blind prediction of concentration-viscosity dependencies for organic mixtures …

Plasma phase transition

GE Norman, IM Saitov - Physics-Uspekhi, 2021 - iopscience.iop.org
Recently developed experimental methods for the generation and diagnostics of nonideal
plasma and warm dense matter are reviewed. Modern theoretical methods applied to solve …

Плазменный фазовый переход

ГЭ Норман, ИМ Саитов - Успехи физических наук, 2021 - ufn.ru
Дан обзор экспериментальных методов генерации и диагностики неидеальной плазмы
и разогретого плотного вещества, получивших распространение в последние годы …

Molecular-level insights to structure and hydrogen bonds network of 1, 4-dioxane aqueous solution

IK Bakulin, IV Kopanichuk, ND Kondratyuk - Journal of Molecular Liquids, 2024 - Elsevier
Abstract We investigate aqueous 1, 4-dioxane solution structure via molecular dynamics
approach for the force fields by Smith et al. and OPLS-AA/CM1A with water model TIP4P …

Dynamical properties of hydrogen fluid at high pressures

G Gliaudelis, V Lukyanchuk… - The Journal of …, 2025 - pubs.aip.org
The properties of the hydrogen fluid at high pressures are still of interest to the scientific
community. The experimentally unreachable dynamical properties could provide new …

Exciton Nature of Plasma Phase Transition in Warm Dense Fluid Hydrogen: ROKS Simulation

ID Fedorov, VV Stegailov - ChemPhysChem, 2023 - Wiley Online Library
The transition of warm dense fluid hydrogen from an insulator to a conducting state at
pressures of about 20–400 GPa and temperatures of 500–5000 K has been the subject of …