Melting and superheating of sI methane hydrate: Molecular dynamics study GS Smirnov, VV Stegailov The Journal of Chemical Physics 136 (4), 2012 | 85 | 2012 |
Toward Determination of the New Hydrogen Hydrate Clathrate Structures GS Smirnov, VV Stegailov The Journal of Physical Chemistry Letters 4 (21), 3560-3564, 2013 | 58 | 2013 |
HPC Hardware Efficiency for Quantum and Classical Molecular Dynamics VV Stegailov, ND Orekhov, GS Smirnov International Conference on Parallel Computing Technologies, 469-473, 2015 | 44 | 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 | 33 | 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 | 23 | 2021 |
Efficiency of classical molecular dynamics algorithms on supercomputers GS Smirnov, VV Stegailov Mathematical Models and Computer Simulations 8 (6), 734-743, 2016 | 17 | 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 |
Predictive modeling and simulation of properties and multi-scale processes in materials science. Tasks for Exaflops-era supercomputers AY Kuksin, AV Lankin, IV Morozov, HE Norman, ND Orekhov, VV Pisarev, ... Programmnye Sistemy: Teoriya i Prilozheniya 5 (1), 191-244, 2014 | 6 | 2014 |
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 |
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 |
A Comparison of Experimental and Ab Initio Structural Data on Fe under Extreme Conditions AB Belonoshko, GS Smirnov Metals 13 (6), 1096, 2023 | 3 | 2023 |
Partial proton ordering during phase transition in Friedel's salt AA Glushak, GS Smirnov Applied Clay Science 243, 107072, 2023 | 1 | 2023 |
Experimental evidence of the high-PT body-centered cubic Fe stability A Belonoshko, G Smirnov Bulletin of the American Physical Society, 2023 | | 2023 |
Phase diagram of iron under the Earth Core pressures A Belonoshko, J Fu, G Smirnov APS March Meeting Abstracts 2022, B24. 002, 2022 | | 2022 |