Grigory Smirnov

National Research University Higher School of Economics — Russia

Computer Science · Physical Sciences

12h-index439citations39works1.02yr avg
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Research Topics

Parallel Computing and Optimization Techniques(6), High-pressure geophysics and materials(6), Radioactive element chemistry and processing(5), Methane Hydrates and Related Phenomena(5), Nuclear Materials and Properties(4)

Publications39 total

Atomistic computational modelling of thaumasite and its aqueous interfaces
SPIRE - Sciences Po Institutional REpository·2025
Structure and properties of thaumasite and its aqueous interfaces revealed by molecular dynamics simulations
Cement and Concrete Research·2025· 3 citedOpen Access
Impact of magnetism on Fe phase diagram under extreme conditions
Physical Review Materials·2025· 4 citedOpen Access
A classical force field for selenium oxyanions in aqueous solutions and minerals
Journal of Molecular Liquids·2025· 2 cited
A classical force field for selenium oxyanions in aqueous solutions and minerals
2024Open Access
Molecular dynamics simulation of hydrocalumite as adsorbent for anionic radionuclides
Applied Geochemistry·2024Open Access
Molecular dynamics simulation of hydrocalumite as adsorbent for anionic radionuclides
2024Open Access
Impact of magnetism account on computation of iron phase diagram
2024Open Access
Predicting the behavior of engineered barrier materials based on molecular dynamics simulation
Radioactive waste·2024Open Access
Systemic hermeneutics of consciousness: I.V. Dmitrevskaya in search for noospheric senses
Ivanovo state university bulletin Series The Humanities·2023Open Access
Structure and Properties of Calcium Aluminates as Adsorbents for Anionic Radionuclides
SPIRE - Sciences Po Institutional REpository·2023
Structure and Properties of Water in a New Model of the 10-Å Phase: Classical and Ab Initio Atomistic Computational Modeling
Minerals·2023· 4 citedOpen Access
Partial proton ordering during phase transition in Friedel's salt
Applied Clay Science·2023· 3 cited
Nanoconfined Water in the 10-Å Phase at Subduction Zone Conditions: Classical and Ab Initio MD Simulations up to 7 GPa and 800 K
SPIRE - Sciences Po Institutional REpository·2023
Life and living of academician V. I. Vernadsky: toward a noospheric vision of the world
NOOSPHERIC STUDIES·2023
A Comparison of Experimental and Ab Initio Structural Data on Fe under Extreme Conditions
Metals·2023· 7 citedOpen Access
Nanoconfined water in the 10-Å phase at subduction zone conditions: Classical and <i>ab initio</i> MD simulations up to 7 GPa and 800 K
2023Open Access
Erratum: Free energies of iron phases at high pressure and temperature: Molecular dynamics study [Phys. Rev. B <b>104</b>, 104103 (2021)]
Physical review. B./Physical review. B·2022· 8 citedOpen Access
Free energies of iron phases at high pressure and temperature: Molecular dynamics study
Physical review. B./Physical review. B·2021· 37 citedOpen Access
Non-Arrhenius diffusion in bcc titanium: Vacancy-interstitialcy model
Physical review. B./Physical review. B·2020· 14 cited
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Frequent Co-authors

Vladimir Stegailov(17), Evgeny V. Tararushkin(11), Nikolay Kondratyuk(6), Artem A. Glushak(6), A. B. Belonoshko(5), Andrey G. Kalinichev(5), V. V. Pisarev(4), Andrey G. Kalinichev(3), Ekaterina Dlinnova(2), Alexander Semenov(2), Nikita Orekhov(2), Jie Fu(2), Oleg E. Peil(2), A. V. Ruban(2), S. I. Simak(2), G. É. Norman(2), Timur Ismagilov(1), Mikhail Khalilov(1), Dmitry Makagon(1), A. G. Simonov(1)