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20242026
most citedTraining Dataset Matters for Machine Learning Interatomic Potentials: Water Simulation as an Example

2 citations · 6 across the 7 of their papers we have counts for

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cond-mat.mtrl-sci2026

Polar vibrational excitations and glass-like response in relaxor PMN

Kehan Cai, Pinchen Xie, Yifan Li +1

Relaxor ferroelectrics retain crystalline order while exhibiting glass-like dielectric and thermal responses. Using atomistic models trained on first-principles data, we investigat…

physics.chem-ph2026

cboamd: A Machine Learning Molecular Dynamics Framework for Vibrational Strong Coupling

Yifan Li, Roberto Car, Johannes Flick

Under vibrational strong coupling (VSC), molecular vibrations hybridize with an optical cavity mode to form polaritons, offering a route to modify chemical and material properties…