Gibbs-Duhem-Informed Neural Networks for Binary Activity Coefficient
Prediction

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Gibbs-Duhem-Informed Neural Networks for Binary Activity Coefficient Prediction

Digital Discovery (DD), 2023

31 May 2023

Alexander Mitsos

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Papers citing "Gibbs-Duhem-Informed Neural Networks for Binary Activity Coefficient Prediction"

9 / 9 papers shown

Title
DeepEOSNet: Capturing the dependency on thermodynamic state in property prediction tasks Jan Pavšek Alexander Mitsos Manuel Dahmen Tai Xuan Tan Jan G. Rittig 104 0 0 21 Sep 2025
Molecular Machine Learning in Chemical Process Design Jan G. Rittig Manuel Dahmen Martin Grohe Philippe Schwaller Alexander Mitsos 209 1 0 28 Aug 2025
Graph Neural Networks embedded into Margules model for vapor-liquid equilibria prediction E. Medina K. Sundmacher 175 1 0 26 Feb 2025
GRAPPA - A Hybrid Graph Neural Network for Predicting Pure Component Vapor PressuresChemical Engineering Journal Advances (CEJA), 2025 Marco Hoffmann Hans Hasse Fabian Jirasek 159 2 0 15 Jan 2025
Predicting the Temperature-Dependent CMC of Surfactant Mixtures with Graph Neural NetworksComputers and Chemical Engineering (Comput. Chem. Eng.), 2024 Christoforos Brozos Jan G. Rittig Elie Akanny Sandip Bhattacharya Christina Kohlmann Alexander Mitsos 206 4 0 04 Nov 2024
GraphXForm: Graph transformer for computer-aided molecular designDigital Discovery (DD), 2024 Jonathan Pirnay Jan G. Rittig Alexander B. Wolf Martin Grohe Jakob Burger Alexander Mitsos D. G. Grimm AI4CE 368 4 0 03 Nov 2024
Thermodynamics-Consistent Graph Neural Networks Jan G. Rittig Alexander Mitsos AI4CE 188 14 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 225 10 0 06 Mar 2024
Graph Neural Networks for Surfactant Multi-Property Prediction Christoforos Brozos Jan G. Rittig Sandip Bhattacharya Elie Akanny Christina Kohlmann Alexander Mitsos AI4CE 165 16 0 03 Jan 2024