Search Results for author: Kai Sundmacher

Found 2 papers, 1 papers with code

Gibbs-Helmholtz Graph Neural Network: capturing the temperature dependency of activity coefficients at infinite dilution

1 code implementation2 Dec 2022 Edgar Ivan Sanchez Medina, Steffen Linke, Martin Stoll, Kai Sundmacher

The accurate prediction of physicochemical properties of chemical compounds in mixtures (such as the activity coefficient at infinite dilution $\gamma_{ij}^\infty$) is essential for developing novel and more sustainable chemical processes.

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