Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery

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Duan, Chenru, Liu, Fang, Nandy, Aditya, Kulik, Heather J.. 2021-05-11. Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery. https://doi.org/10.1021/acs.jpclett.1c00631

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