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Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks2024 Journal of Chemical Theory and Computation article Chemistry Surfactants and Colloidal Systems Open access cited by 1 patent
Christoforos Brozos, Jan G. Rittig, Elie Akanny, Christina Kohlmann, Alexander Mitsos
21citations -
Data-driven decoding of quantum error correcting codes using graph neural networks2025 Physical Review Research article Computer Science Quantum Computing Algorithms and Architecture Open access
Moritz Lange, Pontus Havström, Basudha Srivastava, Isak Bengtsson, Valdemar Bergentall, Karl Hammar, +3 more
23citations -
Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids2023 Computers & Chemical Engineering article Chemical Engineering Ionic liquids properties and applications Open access
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
86citations -
Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction2022 RWTH Publications (RWTH Aachen) article Computer Science Computational Drug Discovery Methods Open access
Artur M. Schweidtmann, Jan G. Rittig, Jana M. Weber, Martin Grohe, Manuel Dahmen, Kai O. Leonhard, +1 more
3citations -
Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids2022 RWTH Publications (RWTH Aachen) article Chemical Engineering Ionic liquids properties and applications Open access
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
2citations