MSR AI4Science; Xi’an Jiaotong University; Yale University
Yunyang Li, Yusong Wang, Lin Huang, Han Yang, Xinran Wei, Jia Zhang, Tong Wang, Zun Wang, Bin Shao, Tie-Yan Liu
Molecular Modeling;Quantum Chemistry;Fragmentation;Non-Local Interactions;EGNN
Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation