Machine learning interatomic potentials at the centennial crossroads of quantum mechanics

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DOI:10.1038/s43588-025-00930-6
作者：Bhupalee Kalita,&nbsp;Hatice Gokcan,&nbsp;Olexandr Isayev
文献类型：期刊论文
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Nature

Abstract：As quantum mechanics marks its centennial in 2025, machine learning interatomic potentials have emerged as transformative tools in molecular modeling, bridging quantum mechanical accuracy wi

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