2 papers
physics.comp-ph2024
A Neural-Network-Based Mapping and Optimization Framework for High-Precision Coarse-Grained Simulation
Zhixuan Zhong, Lifeng Xu, Jian Jiang
The accuracy and efficiency of a coarse-grained (CG) force field are pivotal for high-precision molecular simulations of large systems with complex molecules. We present an automat…
physics.chem-ph2024
Synergistic integration of physical embedding and machine learning enabling precise and reliable force field
Lifeng Xu, Jian Jiang
The machine learning force field has achieved significant strides in accurately reproducing the potential energy surface with quantum chemical accuracy. However, it still faces sig…