General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides BX Shi, V Kapil, A Zen, J Chen, A Alavi, A Michaelides The Journal of Chemical Physics 156 (12), 2022 | 15 | 2022 |
Many-body methods for surface chemistry come of age: Achieving consensus with experiments BX Shi, A Zen, V Kapil, PR Nagy, A Grüneis, A Michaelides Journal of the American Chemical Society 145 (46), 25372-25381, 2023 | 7 | 2023 |
Direct imaging of charge redistribution due to bonding at atomic resolution via electron ptychography GT Martinez, BX Shi, TC Naginey, L Jones, CM O'Leary, TJ Pennycook, ... arXiv preprint arXiv:1907.12974, 2023 | 7 | 2023 |
To pair or not to pair? Machine-learned explicitly-correlated electronic structure for NaCl in water N O'Neill, BX Shi, K Fong, A Michaelides, C Schran arXiv preprint arXiv:2311.01527, 2023 | 1 | 2023 |
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT BX Shi, RJ Nicholls, JR Yates Physical Review B 108 (11), 115112, 2023 | 1 | 2023 |
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters BX Shi, A Michaelides, CW Myung arXiv preprint arXiv:2311.01426, 2023 | | 2023 |