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most citedA Machine-Learning Accelerated Grand Canonical Sampling Framework for Nuclear Quantum Effects in Constant Potential Electrochemistry

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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…