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most citedFastCHGNet: Training one Universal Interatomic Potential to 1.5 Hours with 32 GPUs

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physics.comp-ph2025

A Graph Neural Network for the Era of Large Atomistic Models

Duo Zhang, Anyang Peng, Chun Cai +11

Foundation models, or large atomistic models (LAMs), aim to universally represent the ground-state potential energy surface (PES) of atomistic systems as defined by density functio…