Jan G. Rittig

Graph Neural Networks for Prediction of Fuel Ignition Quality

Artur M. Schweidtmann, Jan G. Rittig, Andrea König et al. · Energy & Fuels · 2020 · 121 citations

Geometric Learning, Graph Representation Learning, Machine Learning +21

Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

Kobi Felton, Jan G. Rittig, Alexei A. Lapkin · Chemistry - Methods · 2021 · 78 citations · Full text

Artificial Intelligence, Search Optimization, Reaction Optimisation +15

Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids

Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann et al. · Computers & Chemical Engineering · 2023 · 70 citations · Full text

Thermodynamic Modelling, Chemical Engineering, Graph Neural Networks +10

Physical pooling functions in graph neural networks for molecular property prediction

Artur M. Schweidtmann, Jan G. Rittig, Jana M. Weber et al. · Computers & Chemical Engineering · 2023 · 48 citations · Full text

Graph Neural Networks, Engineering, Graph Theory +12

Gibbs–Duhem-informed neural networks for binary activity coefficient prediction

Jan G. Rittig, Kobi Felton, Alexei A. Lapkin et al. · Digital Discovery · 2023 · 44 citations · Full text

Thermodynamic Modelling, High Accuracy, Engineering +14