"Including Physics-Informed Atomization Constraints in Neural Networks for ..."

Shuhao Zhang et al. (2025)

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DOI: 10.1021/ACS.JCIM.5C00341

access: open

type: Journal Article

metadata version: 2025-07-06

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  - https://dblp.org/rec/journals/jcisd/ZhangCIML25
Shuhao Zhang, Michael Chigaev, Olexandr Isayev, Richard A. Messerly, Nicholas Lubbers:
Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry. J. Chem. Inf. Model. 65(9): 4367-4380 (2025)

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