An automated framework for exploring and learning potential-energy surfaces
用于探索和学习势能面的自动化框架
期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-62510-6
Liu, Yuanbin; Morrow, Joe D; Ertural, Christina; Fragapane, Natascia L; Gardner, John L A; Naik, Aakash A; Zhou, Yuxing; George, Janine; Deringer, Volker L