| Correlated Dirac–Coulomb–Breit multiconfigurational self-consistent-field methods CE Hoyer, L Lu, H Hu, KD Shumilov, S Sun, S Knecht, X Li The Journal of Chemical Physics 158 (4), 2023 | 10 | 2023 |
| Promoting the Cleavage of C–O Bonds at the Interface between a Metal Oxide Cluster and a Co (0001) Support R Zhang, M Athariboroujeny, G Collinge, V Iablokov, KD Shumilov, ... ACS Catalysis 10 (24), 14722-14731, 2020 | 10 | 2020 |
| Understanding the Hardness of Doped WB4.2 KD Shumilov, Z Mehmedovic, H Yin, P Poths, S Nuryyeva, I Liepuoniute, ... The Journal of Physical Chemistry C 125 (17), 9486-9496, 2021 | 4 | 2021 |
| Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency KD Shumilov, AJ Jenkins, HS La Pierre, B Vlaisavljevich, X Li Journal of the American Chemical Society 146 (17), 12030-12039, 2024 | | 2024 |
| Hardening in Tungsten Tetraboride with the Addition of Carbon, Zirconium, and Silicon: Intrinsic vs Extrinsic Effects G Akopov, S Hu, KD Shumilov, SG Hamilton, LE Pangilinan, ... Chemistry of Materials 36 (7), 3233-3245, 2024 | | 2024 |
| Unveiling Hidden Shake-Up Features in the Uranyl M4-Edge Spectrum JN Ehrman, K Shumilov, AJ Jenkins, JM Kasper, T Vitova, ER Batista, ... JACS Au 4 (3), 1134-1141, 2024 | | 2024 |
| Understanding the Hardness of Doped WB₄. ₂ KD Shumilov, Z Mehmedović, H Yin, P Poths, S Nuryyeva, I Liepuoniute, ... | | 2021 |
| Capturing the Restructuring of Co-Based Catalysts in Oxygenate-Driven Fischer-Tropsch Synthesis from First Principles G Collinge, R Zhang, M Athariboroujeny, T Wood, K Shumilov, ... 2019 North American Catalysis Society Meeting, 2019 | | 2019 |
