| MLatom: a package for atomistic simulations with machine learning PO Dral, BX Xue, F Ge, YF Hou, M Pinheiro Jr, Y Su, Y Dai, Y Chen Xiamen University, Xiamen, China (2013–2022) http://MLatom. com (accessed …, 2013 | 18 | 2013 |
| Interpretable Machine Learning of Two‐Photon Absorption Y Su, Y Dai, Y Zeng, C Wei, Y Chen, F Ge, P Zheng, D Zhou, PO Dral, ... Advanced Science 10 (8), 2204902, 2023 | 12 | 2023 |
| MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows PO Dral, F Ge, YF Hou, P Zheng, Y Chen, M Barbatti, O Isayev, C Wang, ... Journal of Chemical Theory and Computation, 2024 | 5 | 2024 |
| Uncovering the influence of the modifier redox potential on CO 2 reduction through combined data-driven machine learning and hypothesis-driven experimentation X He, Y Su, J Zhu, N Fang, YT Chen, H Liu, D Zhou, C Wang Journal of Materials Chemistry A 11 (34), 18106-18114, 2023 | | 2023 |
