| Performant implementation of the atomic cluster expansion (PACE): Application to copper and silicon Y Lysogorskiy, C van der Oord, A Bochkarev, S Menon, M Rinaldi, ... npj Computational Materials 7, 97, 2021 | 146 | 2021 |
| pyiron: An integrated development environment for computational materials science J Janssen, S Surendralal, Y Lysogorskiy, M Todorova, T Hickel, R Drautz, ... Computational Materials Science 163, 24-36, 2019 | 98 | 2019 |
| On the superconductivity of graphite interfaces P Esquinazi, TT Heikkilä, YV Lysogorskiy, DA Tayurskii, GE Volovik JETP letters 100, 336-339, 2014 | 92 | 2014 |
| Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition C Sutton, LM Ghiringhelli, T Yamamoto, Y Lysogorskiy, L Blumenthal, ... npj Computational Materials 5 (1), 1-11, 2019 | 68* | 2019 |
| Crystallography companion agent for high-throughput materials discovery PM Maffettone, L Banko, P Cui, Y Lysogorskiy, MA Little, D Olds, A Ludwig, ... Nature Computational Science 1 (4), 290-297, 2021 | 67 | 2021 |
| Efficient parametrization of the atomic cluster expansion A Bochkarev, Y Lysogorskiy, S Menon, M Qamar, M Mrovec, R Drautz Physical Review Materials 6 (1), 013804, 2022 | 64 | 2022 |
| Predicting structure zone diagrams for thin film synthesis by generative machine learning L Banko, Y Lysogorskiy, D Grochla, D Naujoks, R Drautz, A Ludwig Communications Materials 1 (1), 15, 2020 | 50 | 2020 |
| Angular-dependent interatomic potential for large-scale atomistic simulation of iron: Development and comprehensive comparison with existing interatomic models S Starikov, D Smirnova, T Pradhan, Y Lysogorskiy, H Chapman, ... Physical Review Materials 5 (6), 063607, 2021 | 46 | 2021 |
| Atomic cluster expansion for quantum-accurate large-scale simulations of carbon M Qamar, M Mrovec, Y Lysogorskiy, A Bochkarev, R Drautz Journal of Chemical Theory and Computation 19 (15), 5151-5167, 2023 | 42 | 2023 |
| Electronic properties of LaAlO3/SrTiO3 n-type interfaces: a GGA+ U study II Piyanzina, T Kopp, YV Lysogorskiy, DA Tayurskii, V Eyert Journal of Physics: Condensed Matter 29 (9), 095501, 2017 | 38 | 2017 |
| Basic physics of functionalized graphite Y Lysogorskiy Springer International Publishing, 2016 | 36 | 2016 |
| Optimized interatomic potential for study of structure and phase transitions in Si-Au and Si-Al systems S Starikov, I Gordeev, Y Lysogorskiy, L Kolotova, S Makarov Computational Materials Science 184, 109891, 2020 | 35 | 2020 |
| Active learning strategies for atomic cluster expansion models Y Lysogorskiy, A Bochkarev, M Mrovec, R Drautz Physical Review Materials 7 (4), 043801, 2023 | 31 | 2023 |
| BOPfox program for tight-binding and analytic bond-order potential calculations T Hammerschmidt, B Seiser, ME Ford, AN Ladines, S Schreiber, N Wang, ... Computer Physics Communications 235, 221-233, 2019 | 30 | 2019 |
| Oxygen vacancies and hydrogen doping in LaAlO3/SrTiO3 heterostructures: electronic properties and impact on surface and interface reconstruction II Piyanzina, V Eyert, YV Lysogorskiy, DA Tayurskii, T Kopp Journal of Physics: Condensed Matter 31 (29), 295601, 2019 | 29 | 2019 |
| Ab initio investigation of electronic and magnetic properties of antiferromagnetic/ferroelectric LaMnO3/BaTiO3 interface VV Kabanov, II Piyanzina, YV Lysogorskiy, DA Tayurskii, RF Mamin Materials Research Express 7 (5), 055020, 2020 | 28 | 2020 |
| Transferability of interatomic potentials for molybdenum and silicon Y Lysogorskiy, T Hammerschmidt, J Janssen, J Neugebauer, R Drautz Modelling and Simulation in Materials Science and Engineering 27 (2), 025007, 2019 | 22 | 2019 |
| Multilayer atomic cluster expansion for semi-local interactions A Bochkarev, Y Lysogorskiy, C Ortner, G Csányi, R Drautz PHYSICAL REVIEW RESEARCH 4, L042019 (2022), 2022 | 20 | 2022 |
| Automated free-energy calculation from atomistic simulations S Menon, Y Lysogorskiy, J Rogal, R Drautz Physical Review Materials 5 (10), 103801, 2021 | 19 | 2021 |
| Non-collinear magnetic atomic cluster expansion for iron M Rinaldi, M Mrovec, A Bochkarev, Y Lysogorskiy, R Drautz npj Computational Materials 10 (1), 12, 2024 | 14 | 2024 |
Dmitrii TayurskiiKazan Federal UniversityVerified email at kpfu.ru
