Bridging the complexity gap in computational heterogeneous catalysis with machine learning

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Mou, Tianyou, Pillai, Hemanth Somarajan, Wang, Siwen, Wan, Mingyu, Han, Xue, Schweitzer, Neil M., Che, Fanglin (ORCID:0000000151098296), Xin, Hongliang (ORCID:0000000193441697). 2023-02-01. Bridging the complexity gap in computational heterogeneous catalysis with machine learning. https://doi.org/10.1038/s41929-023-00911-w

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