most citedCross-functional transferability in universal machine learning interatomic potentials

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cs.DC2025

DistMLIP: A Distributed Inference Platform for Machine Learning Interatomic Potentials

Kevin Han, Bowen Deng, Amir Barati Farimani +1

Large-scale atomistic simulations are essential to bridge computational materials and chemistry to realistic materials and drug discovery applications. In the past few years, rapid…