2 papers
cond-mat.stat-mech2026
Lee-Yang Theory Guided Force Field Refinement Based on Phase Diagrams
Bin Jin, Qijun Ye, Xinzheng Li +2
We propose a general framework for automatic force field refinement guided by phase diagrams, grounded in Lee-Yang phase transition theory. The central idea is to directly use the…
cond-mat.stat-mech2025
Automatic Refinement of Force Fields Based on Phase Diagrams
Bin Jin, Bin Han, Wei Feng +2
Exact characterization of phase transitions requires sufficient configurational sampling, necessitating efficient and accurate potential energy surfaces. Molecular force fields wit…