Self-improving photosensitizer discovery system via Bayesian search with first-principle simulations S Xu, J Li, P Cai, X Liu, B Liu, X Wang Journal of the American Chemical Society 143 (47), 19769-19777, 2021 | 26 | 2021 |
Machine‐learning‐assisted accurate prediction of molecular optical properties upon aggregation S Xu, X Liu, P Cai, J Li, X Wang, B Liu Advanced Science 9 (2), 2101074, 2022 | 20 | 2022 |
Identification of chemical compositions from “featureless” optical absorption spectra: Machine learning predictions and experimental validations T Chen, J Li, P Cai, Q Yao, Z Ren, Y Zhu, S Khan, J Xie, X Wang Nano Research 16 (3), 4188-4196, 2023 | 5 | 2023 |
Accelerated design of near-infrared-II molecular fluorophores via first-principles understanding and machine learning S Xu, P Cai, J Li, X Zhang, X Liu, X Wang, B Liu | 1 | 2021 |