| Temperature dependence of TiN elastic constants from ab initio molecular dynamics simulations P Steneteg, O Hellman, OY Vekilova, N Shulumba, F Tasnádi, ... Physical Review B—Condensed Matter and Materials Physics 87 (9), 094114, 2013 | 98 | 2013 |
| Pressure-induced hydrogen bond symmetrization in iron oxyhydroxide W Xu, E Greenberg, GK Rozenberg, MP Pasternak, E Bykova, ... Physical Review Letters 111 (17), 175501, 2013 | 75 | 2013 |
| First-principles study of vacancy-hydrogen interaction in Pd OY Vekilova, DI Bazhanov, SI Simak, IA Abrikosov Physical Review B—Condensed Matter and Materials Physics 80 (2), 024101, 2009 | 75 | 2009 |
| Intrinsic magnetic properties of SmFe12− xVx alloys with reduced V-concentration AM Schönhöbel, R Madugundo, OY Vekilova, O Eriksson, HC Herper, ... Journal of Alloys and Compounds 786, 969-974, 2019 | 55 | 2019 |
| Database of novel magnetic materials for high-performance permanent magnet development P Nieves, S Arapan, J Maudes-Raedo, R Marticorena-Sánchez, ... Computational materials science 168, 188-202, 2019 | 46 | 2019 |
| High-throughput and data-mining approach to predict new rare-earth free permanent magnets A Vishina, OY Vekilova, T Björkman, A Bergman, HC Herper, O Eriksson Physical Review B 101 (9), 094407, 2020 | 45 | 2020 |
| Hyperfine splitting and room-temperature ferromagnetism of Ni at multimegabar pressure I Sergueev, L Dubrovinsky, M Ekholm, OY Vekilova, AI Chumakov, ... Physical review letters 111 (15), 157601, 2013 | 32 | 2013 |
| Computational design of rare-earth reduced permanent magnets A Kovacs, J Fischbacher, M Gusenbauer, H Oezelt, HC Herper, ... Engineering 6 (2), 148-153, 2020 | 28 | 2020 |
| Effect of pressure on phase stability in Fe-Cr alloys AV Ponomareva, AV Ruban, OY Vekilova, SI Simak, IA Abrikosov Physical Review B—Condensed Matter and Materials Physics 84 (9), 094422, 2011 | 27 | 2011 |
| Tuning the magnetocrystalline anisotropy of by alloying OY Vekilova, B Fayyazi, KP Skokov, O Gutfleisch, C Echevarria-Bonet, ... Physical Review B 99 (2), 024421, 2019 | 23 | 2019 |
| Ionic conductivity in Gd-doped : Ab initio color-diffusion nonequilibrium molecular dynamics study JO Nilsson, OY Vekilova, O Hellman, J Klarbring, SI Simak, ... Physical Review B 93 (2), 024102, 2016 | 22 | 2016 |
| Oxygen diffusion in ceria doped with rare-earth elements JO Nilsson, M Leetmaa, OY Vekilova, SI Simak, NV Skorodumova Physical Chemistry Chemical Physics 19 (21), 13723-13730, 2017 | 20 | 2017 |
| Elastic properties of body-centered cubic iron in Earth's inner core AB Belonoshko, SI Simak, W Olovsson, OY Vekilova Physical Review B 105 (18), L180102, 2022 | 16 | 2022 |
| Electronic correlations in Fe at Earth's inner core conditions: Effects of alloying with Ni OY Vekilova, LV Pourovskii, IA Abrikosov, SI Simak Physical Review B 91 (24), 245116, 2015 | 15 | 2015 |
| Localized versus itinerant character of 4f-states in cerium oxides HC Herper, OY Vekilova, SI Simak, I Di Marco, O Eriksson Journal of Physics: Condensed Matter 32 (21), 215502, 2020 | 13 | 2020 |
| Data-driven design of a new class of rare-earth free permanent magnets A Vishina, D Hedlund, V Shtender, EK Delczeg-Czirjak, SR Larsen, ... Acta Materialia 212, 116913, 2021 | 11 | 2021 |
| The CeFe11Ti permanent magnet: A closer look at the microstructure of the compound R Martinez-Casado, A Dasmahapatra, MF Sgroi, C Romero-Muñiz, ... Journal of Physics: Condensed Matter 31 (50), 505505, 2019 | 11 | 2019 |
| Ionic conductivity in Sm-doped ceria from first-principles non-equilibrium molecular dynamics J Klarbring, OY Vekilova, JO Nilsson, NV Skorodumova, SI Simak Solid State Ionics 296, 47-53, 2016 | 10 | 2016 |
| Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17 A Vishina, O Eriksson, OY Vekilova, A Bergman, HC Herper Journal of Alloys and Compounds 888, 161521, 2021 | 9 | 2021 |
| Formation and Polymorphism of Semiconducting K2SiH6 and Strategy for Metallization OY Vekilova, DC Beyer, S Bhat, R Farla, V Baran, SI Simak, H Kohlmann, ... Inorganic Chemistry 62 (21), 8093-8100, 2023 | 6 | 2023 |
