2 papers
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…
physics.chem-ph2024
Refining Potential Energy Surface through Dynamical Properties via Differentiable Molecular Simulation
Bin Han, Kuang Yu
Recently, machine learning potentials (MLP) largely enhances the reliability of molecular dynamics, but its accuracy is limited by the underlying methods. A vi…