Thermodynamics-Consistent Graph Neural Networks

8 July 2024

Papers citing "Thermodynamics-Consistent Graph Neural Networks"

5 / 5 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
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 58 1 0 03 Nov 2024
Hierarchical Matrix Completion for the Prediction of Properties of Binary Mixtures Dominik Gond Jan-Tobias Sohns Heike Leitte Hans Hasse Fabian Jirasek AI4CE 31 0 0 08 Oct 2024
SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients Benedikt Winter Clemens Winter Timm Esper J. Schilling A. Bardow 21 34 0 09 Sep 2022