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Nikolay Kondratyuk
Nikolay Kondratyuk
Joint Institute for High Temperatures RAS; National Research University Higher School of Economics
Verified email at ihed.ras.ru
Title
Cited by
Cited by
Year
Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes
ND Kondratyuk, GE Norman, VV Stegailov
The Journal of chemical physics 145 (20), 204504, 2016
472016
Calculation of viscosities of branched alkanes from 0.1 to 1000 MPa by molecular dynamics methods using COMPASS force field
ND Kondratyuk, VV Pisarev
Fluid Phase Equilibria 498, 151-159, 2019
382019
Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations
V Stegailov, E Dlinnova, T Ismagilov, M Khalilov, N Kondratyuk, ...
The International Journal of High Performance Computing Applications 33 (3 …, 2019
292019
Relaxation and transport properties of liquid n-triacontane
ND Kondratyuk, AV Lankin, GE Norman, VV Stegailov
Journal of Physics: Conference Series 653 (1), 012107, 2015
192015
Transport coefficients of model lubricants up to 400 MPa from molecular dynamics
N Kondratyuk, D Lenev, V Pisarev
The Journal of Chemical Physics 152 (19), 191104, 2020
162020
Early performance evaluation of the hybrid cluster with torus interconnect aimed at molecular-dynamics simulations
V Stegailov, A Agarkov, S Biryukov, T Ismagilov, M Khalilov, N Kondratyuk, ...
International Conference on Parallel Processing and Applied Mathematics, 327-336, 2017
162017
Probing the high-pressure viscosity of hydrocarbon mixtures using molecular dynamics simulations
ND Kondratyuk, VV Pisarev, JP Ewen
The Journal of Chemical Physics 153 (15), 154502, 2020
112020
Microscopic mechanisms of diffusion of higher alkanes
ND Kondratyuk, GE Norman, VV Stegailov
Polymer Science, Series A 58 (5), 825-836, 2016
112016
GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP
N Kondratyuk, V Nikolskiy, D Pavlov, V Stegailov
The International Journal of High Performance Computing Applications 35 (4 …, 2021
102021
Prediction of viscosity-density dependence of liquid methane+ n-butane+ n-pentane mixtures using the molecular dynamics method and empirical correlations
V Pisarev, N Kondratyuk
Fluid Phase Equilibria 501, 112273, 2019
92019
Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa
ND Kondratyuk
Journal of Physics: Conference Series 1385 (1), 012048, 2019
92019
Performance and scalability of materials science and machine learning codes on the state-of-art hybrid supercomputer architecture
N Kondratyuk, G Smirnov, A Agarkov, A Osokin, V Nikolskiy, A Semenov, ...
Russian Supercomputing Days, 597-609, 2019
82019
Contributions of force field interaction forms to Green-Kubo viscosity integral in n-alkane case
N Kondratyuk
The Journal of Chemical Physics 151 (7), 074502, 2019
82019
Hybrid supercomputer Desmos with Torus Angara interconnect: Efficiency analysis and optimization
N Kondratyuk, G Smirnov, E Dlinnova, S Biryukov, V Stegailov
International Conference on Parallel Computational Technologies, 77-91, 2018
82018
Rheology of liquid n-triacontane: Molecular dynamics simulation
ND Kondratyuk, GE Norman, VV Stegailov
Journal of Physics: Conference Series 774 (1), 012039, 2016
72016
Predicting shear viscosity of 1, 1-diphenylethane at high pressures by molecular dynamics methods
ND Kondratyuk, VV Pisarev
Fluid Phase Equilibria 544, 113100, 2021
52021
Insights into the early stages of melamine cyanurate nucleation from aqueous solution
N Orekhov, N Kondratyuk, M Logunov, A Timralieva, V Shilovskikh, ...
Crystal Growth & Design 21 (4), 1984-1992, 2021
52021
Hybrid codes for atomistic simulations on the Desmos supercomputer: GPU-acceleration, scalability and parallel I/O
N Kondratyuk, G Smirnov, V Stegailov
Russian Supercomputing Days, 218-229, 2018
52018
Encapsulation of rhodamine 6G dye molecules for affecting symmetry of supramolecular crystals of melamine-barbiturate
PV Nesterov, VV Shilovskikh, AD Sokolov, VV Gurzhiy, AS Novikov, ...
Symmetry 13 (7), 1119, 2021
42021
Shear viscosity of n-pentane from diffusivity based molecular dynamics methods
ND Kondratyuk, MA Orekhov
Journal of Physics: Conference Series 1556 (1), 012048, 2020
32020
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