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Machine learning the Hohenberg-Kohn map for molecular excited states.
Nat Commun. 2022 Nov 17;13(1):7044. doi: 10.1038/s41467-022-34436-w.
Nat Commun. 2022.
PMID: 36396634
Free PMC article.
Rapid prediction of molecular crystal structures using simple topological and physical descriptors.
Galanakis N, Tuckerman ME.
Galanakis N, et al.
Nat Commun. 2024 Nov 11;15(1):9757. doi: 10.1038/s41467-024-53596-5.
Nat Commun. 2024.
PMID: 39528448
Free PMC article.
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