MLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows. - Pavlo O. Dral; Fuchun Ge; Yi-Fan Hou; Peikun Zheng; Yuxinxin Chen; Mario Barbatti; Olexandr Isayev; Cheng Wang; Bao-Xin Xue; Max Pinheiro Jr; Yuming Su; Yiheng Dai; et al. (CoRR, 2023)

Physics-informed active learning for accelerating quantum chemical simulations. - Yi-Fan Hou; Lina Zhang; Quanhao Zhang; Fuchun Ge; Pavlo O. Dral (CoRR, 2024)

Artificial Intelligence for Direct Prediction of Molecular Dynamics Across Chemical Space. - Fuchun Ge; Pavlo O. Dral (CoRR, 2025)