Geometry-enhanced pretraining on interatomic potentials
Taoyong Cui, Chenyu Tang, Mao Su, Shufei Zhang, Yuqiang Li, Lei Bai, Yuhan Dong, Xin-Gao Gong, Wanli Ouyang
Topics & Concepts
Materials scienceGeometryPhysicsMathematicsMachine Learning in Materials ScienceCatalysis and Oxidation ReactionsForce Microscopy Techniques and Applications