A transferable recommender approach for selecting the best density functional approximations in chemical discovery - researchr publication

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Chenru Duan, Aditya Nandy, Ralf Meyer, Naveen Arunachalam, Heather J. Kulik. A transferable recommender approach for selecting the best density functional approximations in chemical discovery. Nat. Comput. Sci., 3(1):38-47, 2023. [doi]

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