Gibbs–Duhem-informed neural networks for binary activity coefficient prediction

Digital Discovery, 2023, Advance Article
DOI: 10.1039/D3DD00103B, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jan G. Rittig, Kobi C. Felton, Alexei A. Lapkin, Alexander Mitsos
Gibbs–Duhem-informed neural networks provide a flexible hybrid approach to predicting binary activity coefficients with both high accuracy and thermodynamic consistency.
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