ab initio accuracy to 100 million atoms with machine learning

Weile Jia, Han Wang 0006, MoHan Chen, Denghui Lu, Lin Lin 0001, Roberto Car, Weinan E, Linfeng Zhang. ab initio accuracy to 100 million atoms with machine learning. In Christine Cuicchi, Irene Qualters, William T. Kramer, editors, SC '20: The International Conference for High Performance Computing, Networking, Storage and Analysis, Virtual Event / Atlanta, Georgia, USA, November 9-19, 2020. pages 5, IEEE/ACM, 2020. [doi]

Abstract

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