Jan G. Rittig

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 10

Top Topics

Molecular Structure

Chaotic Time Series

Top Venues

Comput. Chem. Eng.

Publications

Christoforos Brozos, Jan G. Rittig, Sandip Bhattacharya, Elie Akanny, Christina Kohlmann, Alexander Mitsos
Graph Neural Networks for Surfactant Multi-Property Prediction. CoRR (2024)
Christoforos Brozos, Jan G. Rittig, Sandip Bhattacharya, Elie Akanny, Christina Kohlmann, Alexander Mitsos
Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks. CoRR (2024)
Jan G. Rittig, Alexander Mitsos
Thermodynamics-Consistent Graph Neural Networks. CoRR (2024)
Jan G. Rittig, Kobi C. Felton, Alexei A. Lapkin, Alexander Mitsos
Gibbs-Duhem-Informed Neural Networks for Binary Activity Coefficient Prediction. CoRR (2023)
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids. Comput. Chem. Eng. 171 (2023)
Artur M. Schweidtmann, Jan G. Rittig, Jana M. Weber, Martin Grohe, Manuel Dahmen, Kai Leonhard, Alexander Mitsos
Physical pooling functions in graph neural networks for molecular property prediction. Comput. Chem. Eng. 172 (2023)
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids. CoRR (2022)
Artur M. Schweidtmann, Jan G. Rittig, Jana M. Weber, Martin Grohe, Manuel Dahmen, Kai Leonhard, Alexander Mitsos
Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction. CoRR (2022)
Jan G. Rittig, Martin Ritzert, Artur M. Schweidtmann, Stefanie Winkler, Jana M. Weber, Philipp Morsch, K. Alexander Heufer, Martin Grohe, Alexander Mitsos, Manuel Dahmen
Graph Machine Learning for Design of High-Octane Fuels. CoRR (2022)
Jan G. Rittig, Qinghe Gao, Manuel Dahmen, Alexander Mitsos, Artur M. Schweidtmann
Graph neural networks for the prediction of molecular structure-property relationships. CoRR (2022)