High-Dimensional Operator Learning for Molecular Density Functional Theory

Classical density functional theory (cDFT) provides a systematic framework to predict the structure and thermodynamic properties of chemical systems through molecular density profiles. Whereas the statistical-mechanical framework is theoretically rigorous, its applications are often constrained by c...

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Bibliographic Details

Published in:	Journal of chemical theory and computation Vol. 21; no. 12; p. 5905
Main Authors:	Yang, Jinni, Pan, Runtong, Sun, Jikai, Wu, Jianzhong
Format:	Journal Article
Language:	English
Published:	United States 24.06.2025
ISSN:	1549-9626, 1549-9626
Online Access:	Get more information
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