A proposed density functional approximation (DFA) recommender outperforms the use of a single functional by selecting the optimal exchange-correlation functional for a given system.
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The author declares no competing interests.
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Vuckovic, S. Using AI to navigate through the DFA zoo. Nat Comput Sci 3, 6–7 (2023). https://doi.org/10.1038/s43588-022-00393-z