Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction

Yuchao Lin, Keqiang Yan, Youzhi Luo, Yi Liu 0059, Xiaoning Qian, Shuiwang Ji. Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction. In Andreas Krause 0001, Emma Brunskill, KyungHyun Cho, Barbara Engelhardt, Sivan Sabato, Jonathan Scarlett, editors, International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA. Volume 202 of Proceedings of Machine Learning Research, pages 21260-21287, PMLR, 2023. [doi]

Abstract

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