[Other] Iterative charge equilibration for fourth-generation high-dimensional neural network potentials

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journal:The Journal of Chemical Physics

Authors:Emir Kocer; Andreas Singraber; Jonas A. Finkler; Philipp Misof; Tsz Wai Ko; Christoph Dellago; Jrg Behler

Published date:2025-3-28

DOI:10.1063/5.0252566

PDF link:https://pubs.aip.org/aip/jcp/art ... 106_1_5.0252566.pdf

Article link:https://doi.org/10.1063/5.0252566

Article Source:AIP Publishing


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