1 code implementation • 10 Apr 2024 • Sheng Gong, Yumin Zhang, Zhenliang Mu, Zhichen Pu, Hongyi Wang, Zhiao Yu, Mengyi Chen, Tianze Zheng, Zhi Wang, Lifei Chen, Xiaojie Wu, Shaochen Shi, Weihao Gao, Wen Yan, Liang Xiang
Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes.
no code implementations • NeurIPS Workshop AI4Scien 2021 • Tianze Zheng, Weihao Gao, Chong Wang
Molecular dynamics (MD) simulation predicts the trajectory of atoms by solving Newton's equation of motion with a numeric integrator.