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

2 December 2022

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

7 / 7 papers shown

Title
Graph Neural Networks embedded into Margules model for vapor-liquid equilibria prediction E. Medina K. Sundmacher 60 0 0 26 Feb 2025
GRAPPA - A Hybrid Graph Neural Network for Predicting Pure Component Vapor Pressures Marco Hoffmann Hans Hasse F. Jirasek 51 1 0 15 Jan 2025
Predicting the Temperature-Dependent CMC of Surfactant Mixtures with Graph Neural Networks Christoforos Brozos Jan G. Rittig Elie Akanny Sandip Bhattacharya Christina Kohlmann Alexander Mitsos 32 0 0 04 Nov 2024
GraphXForm: Graph transformer for computer-aided molecular design Jonathan Pirnay Jan G. Rittig Alexander B. Wolf Martin Grohe Jakob Burger Alexander Mitsos D. G. Grimm AI4CE 55 1 0 03 Nov 2024
Thermodynamics-Consistent Graph Neural Networks Jan G. Rittig Alexander Mitsos AI4CE 21 7 0 08 Jul 2024
Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks Christoforos Brozos Jan G. Rittig Sandip Bhattacharya Elie Akanny Christina Kohlmann Alexander Mitsos 32 4 0 06 Mar 2024
Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix Completion F. Jirasek Rodrigo Alves J. Damay Robert A. Vandermeulen Robert Bamler Michael Bortz Stephan Mandt Marius Kloft Hans Hasse 168 68 0 29 Jan 2020