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Incorporating Scientific Knowledge into Neural Network Density Functionals

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Year: 2026
Type: article
Source: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6c00270
Authors: Mark Yu. Schneider, Danis U. Zaripov, Roman Yu. Dokin, Alexander A. Ryabov, Timofey V. Losev, Michael G. Medvedev
Institutions: Russian Academy of Sciences, Lomonosov Moscow State University, N.D. Zelinsky Institute of Organic Chemistry, National Research University Higher School of Economics
Language: English

Topic: Advanced Chemical Physics Studies
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences

Open Access status: closed

Funder: Russian Science Foundation
Award: G1565027426
OpenAlex ID: W7156933441
FWCI:
Cites: 53
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