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 · 130 citations

Computing, Chemical Engineering, Chemistry +17

Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

Kobi Felton, Jan G. Rittig, Alexei A. Lapkin · Chemistry - Methods · 2021 · 84 citations · Full text

Computing, Chemistry, Computer Science +10

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 · 79 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +16

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

Jan G. Rittig, Kobi Felton, Alexei A. Lapkin et al. · Digital Discovery · 2023 · 55 citations · Full text

Natural Sciences, Chemical Engineering, Computer Science +17

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 · 54 citations · Full text

Natural Sciences, Bioinformatics, Chemistry +16