Computational search for novel hard chromium-based materials AG Kvashnin, AR Oganov, AI Samtsevich, Z Allahyari
The journal of physical chemistry letters 8 (4), 755-764, 2017
70 2017 Raman spectroscopy and x-ray diffraction of at lower mantle pressures SS Lobanov, X Dong, NS Martirosyan, AI Samtsevich, V Stevanovic, ...
Physical Review B 96 (10), 104101, 2017
67 2017 Stabilization of hexazine rings in potassium polynitride at high pressure Y Wang, M Bykov, I Chepkasov, A Samtsevich, E Bykova, X Zhang, ...
Nature Chemistry 14 (7), 794-800, 2022
27 2022 The volumetric source function: Looking inside van der Waals Interactions C Tantardini, AAL Michalchuk, A Samtsevich, C Rota, AG Kvashnin
Scientific Reports 10 (1), 7816, 2020
14 2020 Using virtualization to protect the proprietary material science applications in volunteer computing NP Khrapov, VV Rozen, AI Samtsevich, MA Posypkin, VA Sukhomlin, ...
Open Engineering 8 (1), 57-60, 2018
8 2018 Volunteer computing for computational materials design N Khrapov, V Roizen, M Posypkin, A Samtsevich, AR Oganov
Lobachevskii Journal of Mathematics 38, 926-930, 2017
5 2017 Boosting heterogeneous catalyst discovery by structurally constrained deep learning models AN Korovin, IS Humonen, AI Samtsevich, RA Eremin, AI Vasilev, ...
Materials Today Chemistry 30, 101541, 2023
4 2023 Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide C Panosetti, Y Lee, A Samtsevych, C Scheurer
The Journal of Chemical Physics 158 (22), 2023
3 2023 Phase transitions in tungsten monoborides AG Kvashnin, AI Samtsevich
JETP Letters 111 (6), 343-349, 2020
3 2020 Mechanisms of phase transitions between Al2SiO5 polymorphs A Samtsevich, A Oganov
ZAPISKI RMO (PROCEEDINGS OF THE RUSSIAN MINERALOGICAL SOCIETY) 150 (5), 79-91, 2021
2021 Взаємодія нуклеотидних основ ДНК із протипухлинним препаратом ТіоТЕФ: молекулярний докінг та квантово-механічний аналіз АІ САмцевич, ЛА БуЛАвІн, ЛФ СуходуБ, ТЮ Ніколаєнко
Ukrainian Biochemical Journal, 50-59, 2014
2014