2 papers
physics.chem-ph2024
Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation
Yunyang Li, Yusong Wang, Lin Huang +7
Computational simulation of chemical and biological systems using ab initio molecular dynamics has been a challenge over decades. Researchers have attempted to address the problem…
cs.LG2024
LordNet: An Efficient Neural Network for Learning to Solve Parametric Partial Differential Equations without Simulated Data
Xinquan Huang, Wenlei Shi, Xiaotian Gao +5
Neural operators, as a powerful approximation to the non-linear operators between infinite-dimensional function spaces, have proved to be promising in accelerating the solution of…