| Melting and superheating of sI methane hydrate: Molecular dynamics study GS Smirnov, VV Stegailov The Journal of Chemical Physics 136 (4), 2012 | 87 | 2012 |
| 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 | 66 | 2019 |
| Toward Determination of the New Hydrogen Hydrate Clathrate Structures GS Smirnov, VV Stegailov The Journal of Physical Chemistry Letters 4 (21), 3560-3564, 2013 | 60 | 2013 |
| HPC hardware efficiency for quantum and classical molecular dynamics VV Stegailov, ND Orekhov, GS Smirnov Parallel Computing Technologies: 13th International Conference, PaCT 2015 …, 2015 | 48 | 2015 |
| VASP hits the memory wall: Processors efficiency comparison V Stegailov, G Smirnov, V Vecher Concurrency and Computation: Practice and Experience 31 (19), e5136, 2019 | 39 | 2019 |
| Free energies of iron phases at high pressure and temperature: Molecular dynamics study AB Belonoshko, J Fu, G Smirnov Physical Review B 104 (10), 104103, 2021 | 29 | 2021 |
| Formation free energies of point defects and thermal expansion of bcc U and Mo GS Smirnov, VV Stegailov Journal of Physics: Condensed Matter 31 (23), 235704, 2019 | 19 | 2019 |
| Efficiency of classical molecular dynamics algorithms on supercomputers GS Smirnov, VV Stegailov Mathematical models and computer simulations 8, 734-743, 2016 | 19 | 2016 |
| Non-Arrhenius diffusion in bcc titanium: Vacancy-interstitialcy model G Smirnov Physical Review B 102 (18), 184110, 2020 | 15 | 2020 |
| 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 | 14 | 2019 |
| Anomalous diffusion of guest molecules in hydrogen gas hydrates GS Smirnov, VV Stegailov High Temperature 53 (6), 829-836, 2015 | 12 | 2015 |
| Hybrid supercomputer Desmos with Torus Angara interconnect: Efficiency analysis and optimization N Kondratyuk, G Smirnov, E Dlinnova, S Biryukov, V Stegailov Parallel Computational Technologies: 12th International Conference, PCT 2018 …, 2018 | 9 | 2018 |
| Hybrid codes for atomistic simulations on the Desmos supercomputer: GPU-acceleration, scalability and parallel I/O N Kondratyuk, G Smirnov, V Stegailov Supercomputing: 4th Russian Supercomputing Days, RuSCDays 2018, Moscow …, 2019 | 6 | 2019 |
| Predictive modeling and simulation of properties and multi-scale processes in materials science. Tasks for Exaflops-era supercomputers AY Kuksin, AV Lankin, IV Morozov, GE Norman, ND Orekhov, VV Pisarev, ... Program Systems: Theory and Applications 5 (1), 191-244, 2014 | 6 | 2014 |
| A Comparison of Experimental and Ab Initio Structural Data on Fe under Extreme Conditions AB Belonoshko, GS Smirnov Metals 13 (6), 1096, 2023 | 4 | 2023 |
| Erratum: Free energies of iron phases at high pressure and temperature: Molecular dynamics study [Phys. Rev. B 104, 104103 (2021)] AB Belonoshko, J Fu, G Smirnov Physical Review B 105 (5), 059903, 2022 | 4 | 2022 |
| Partial proton ordering during phase transition in Friedel's salt AA Glushak, GS Smirnov Applied Clay Science 243, 107072, 2023 | 3 | 2023 |
| Structure and Properties of Water in a New Model of the 10-Å Phase: Classical and Ab Initio Atomistic Computational Modeling EV Tararushkin, GS Smirnov, AG Kalinichev Minerals 13 (8), 1018, 2023 | 3 | 2023 |
| Efficiency of classical molecular dynamics algorithms on supercomputing hardware GS Smirnov, VV Stegailov Matematicheskoe modelirovanie 28 (5), 95-108, 2016 | 3 | 2016 |
| A classical force field for selenium oxyanions in aqueous solutions and minerals AA Glushak, EV Tararushkin, GS Smirnov Journal of Molecular Liquids, 126904, 2025 | 1 | 2025 |
Vladimir StegailovJoint Institute for High Temperatures of Russian Academy of SciencesPreverjeni e-poštni naslov na jiht.ru