Concepedia

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

Jan G. Rittig, Kobi Felton, Alexei A. Lapkin, Alexander Mitsos

Digital Discovery · 2023 · 55 citations · 38 references

DOIFull text

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Concepts

Abstract

Gibbs–Duhem-informed neural networks provide a flexible hybrid approach to predicting binary activity coefficients with both high accuracy and thermodynamic consistency.

References

38

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Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations

Maziar Raissi, Paris Perdikaris, George Em Karniadakis · Journal of Computational Physics · 2018 · 16.9K citations · Full text

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Local compositions in thermodynamic excess functions for liquid mixtures

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Neural Collaborative Filtering

Xiangnan He, Lizi Liao, Hanwang Zhang et al. · 2017 · 6.6K citations · Full text

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Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena

Andreas Klamt · The Journal of Physical Chemistry · 1995 · 4.1K citations

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