| 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 | 47 | 2016 |
| 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 | 36 | 2019 |
| 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 | 29 | 2019 |
| 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 | 19 | 2015 |
| 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 | 16 | 2020 |
| 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 | 16 | 2017 |
| 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 | 11 | 2020 |
| Microscopic mechanisms of diffusion of higher alkanes ND Kondratyuk, GE Norman, VV Stegailov Polymer Science, Series A 58 (5), 825-836, 2016 | 11 | 2016 |
| 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 | 9 | 2021 |
| 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 | 9 | 2019 |
| 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 | 8 | 2019 |
| 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 | 8 | 2019 |
| 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 | 8 | 2019 |
| 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 | 8 | 2018 |
| Rheology of liquid n-triacontane: Molecular dynamics simulation ND Kondratyuk, GE Norman, VV Stegailov Journal of Physics: Conference Series 774 (1), 012039, 2016 | 7 | 2016 |
| 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 | 5 | 2021 |
| 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 | 5 | 2018 |
| Predicting shear viscosity of 1, 1-diphenylethane at high pressures by molecular dynamics methods ND Kondratyuk, VV Pisarev Fluid Phase Equilibria 544, 113100, 2021 | 4 | 2021 |
| 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 | 4 | 2021 |
| Performance and portability of state-of-art molecular dynamics software on modern GPUs E Kuznetsov, N Kondratyuk, M Logunov, V Nikolskiy, V Stegailov International Conference on Parallel Processing and Applied Mathematics, 324-334, 2019 | 4 | 2019 |
Vladimir StegailovJoint Institute for High Temperatures of Russian Academy of SciencesVerified email at ihed.ras.ru
