arXiv AI By Daniel Hern\'andez, Jong Hyun Jung, Yuji Ikeda, Yongliang Ou, Pranav Kumar, Tom Sch\"achtel, Wenchuan Liu, Xin Li, Xi Zhang, Xiang Xu, Lifang Zhu, Fritz K\"ormann, Steffen Staab, Blazej Grabowski

An Ontology for Machine Learning Interatomic Potentials

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arXiv:2607. 23219v1 Announce Type: new Abstract: Machine learning interatomic potentials (MLIPs) approximate quantum-mechanical energies and forces---conventionally computed by density functional theory (DFT) or wave-function methods---at a fraction of the cost.

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