Nikolay Kondratyuk

Calculation of viscosities of branched alkanes from 0.1 to 1000 MPa by molecular dynamics methods using COMPASS force field

Nikolay Kondratyuk, V. V. Pisarev · Fluid Phase Equilibria · 2019 · 84 citations

Branched Alkanes, Engineering, Compass Force Field +10

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

Nikolay Kondratyuk, Vsevolod Nikolskiy, Daniil Pavlov et al. · The International Journal of High Performance Computing Applications · 2021 · 81 citations

Amd Vega20 Gpus, Gpu-accelerated Molecular Dynamics, Engineering +16

Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations

Vladimir Stegailov, Ekaterina Dlinnova, Timur Ismagilov et al. · The International Journal of High Performance Computing Applications · 2019 · 62 citations

Cluster Computing, Engineering, Molecular Biology +28

Self-consistent molecular dynamics calculation of diffusion in higher <i>n</i>-alkanes

Nikolay Kondratyuk, G. É. Norman, Vladimir Stegailov · The Journal of Chemical Physics · 2016 · 51 citations

Diffusion Coefficient Calculations, Chemical Kinetics, Engineering +12

Transport coefficients of model lubricants up to 400 MPa from molecular dynamics

Nikolay Kondratyuk, D. Yu. Lenev, V. V. Pisarev · The Journal of Chemical Physics · 2020 · 36 citations · Full text