Process Systems Engineering
Scientific Staff
Address
Building: 5001
Room: B-225
Forckenbeckstraße 51
52074 Aachen
Publications
| Titel | Author(s) |
|---|---|
| Physical pooling functions in graph neural networks for molecular property prediction Erschienen in: Computers & chemical engineering (2023) | Schweidtmann, Artur M. Rittig, Jan Gerald Weber, Jana M. Grohe, Martin Dahmen, Manuel Leonhard, Kai Mitsos, Alexander (Corresponding author) |
| Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids Erschienen in: Computers & chemical engineering (2023) | Rittig, Jan Gerald Ben Hicham, Karim Schweidtmann, Artur M. Dahmen, Manuel Mitsos, Alexander (Corresponding author) |
| Molecular design of fuels for maximum spark-ignition engine efficiency by combining predictive thermodynamics and machine learning Erschienen in: Energy & fuels (2023) | Fleitmann, Lorenz Heinrich Johannes Ackermann, Philipp Schilling, Johannes Kleinekorte, Johanna Rittig, Jan Gerald vom Lehn, Florian Alexander Schweidtmann, Artur M. Pitsch, Heinz Leonhard, Kai Mitsos, Alexander Bardow, André (Corresponding author) Dahmen, Manuel (Corresponding author) |
| Graph machine learning for design of high-octane fuels Erschienen in: AIChE journal (2022) | Rittig, Jan Gerald Ritzert, Martin Schweidtmann, Artur M. Winkler, Stefanie Weber, Jana M. Morsch, Philipp Heufer, Karl Alexander Grohe, Martin Mitsos, Alexander Dahmen, Manuel (Corresponding author) |
| Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction (2022) | Schweidtmann, Artur M. Rittig, Jan Gerald Weber, Jana M. Grohe, Martin Dahmen, Manuel Leonhard, Kai Mitsos, Alexander (Corresponding author) |
| Molecular design of spark-ignition fuels by combining predictive thermodynamics and machine learning (2022) | Ackermann, Philipp Fleitmann, Lorenz Heinrich Johannes Schilling, Johannes Kleinekorte, Johanna Rittig, Jan Gerald vom Lehm, Florian Schweidtmann, Artur M. Pitsch, Heinz Leonard, Kai Mitsos, Alexander Bardow, André Dahmen, Manuel |
| Molecular Design of Spark-Ignition Engine Fuels for Maximal Engine Efficiency (2022) | Ackermann, Philipp Fleitmann, Lorenz Heinrich Johannes Schilling, Johannes Kleinekorte, Johanna Rittig, Jan Gerald vom Lehm, Florian Schweidtmann, Artur Pitsch, Heinz Leonard, Kai Mitsos, Alexander Bardow, André Dahmen, Manuel |
| Towards Characteristic Fuel Numbers for Molecularly-Controlled Combustion Systems Erschienen in: 10th International Conference Fuel Science - From Production to Propulsion May 10 to 12, 2022: Conference Report Book of Abstracts (2022) | Neumann, Marcel (Corresponding author) Ackermann, Philipp Rittig, Jan Gerald Honecker, Christian Mitsos, Alexander Dahmen, Manuel Pischinger, Stefan |
| Towards Characteristic Fuel Numbers for Molecularly-Controlled Combustion Systems (2022) | Neumann, Marcel Ackermann, Philipp Rittig, Jan Gerald Honecker, Christian Mitsos, Alexander Dahmen, Manuel Pischinger, Stefan |
| Comparing Cetane Ratings from IQT and AFIDA: Fundamentals, Experimental Screening, and Graph NeuralNetwork Modeling (2021) | Ackermann, Philipp Neumann, Marcel Rittig, Jan Gerald Pischinger, Stefan Mitsos, Alexander Dahmen, Manuel |
| Fuel design by combined machine learning and predictive thermodynamics (2021) | Fleitmann, Lorenz Heinrich Johannes Ackermann, Philipp Rittig, Jan Gerald Schweidtmann, Artur M. König, Andrea Dahmen, Manuel Mitsos, Alexander Bardow, André Leonhard, Kai |
| Fuel design by combined machine learning and predictive thermodynamics (2021) | Fleitmann, Lorenz Heinrich Johannes Ackermann, Philipp Rittig, Jan Gerald Schweidtmann, Artur M. König, Andrea Dahmen, Manuel Mitsos, Alexander Bardow, André Leonhard, Kai |
| Computer-Aided Design of Molecules with High Octane Rating and Octane Sensitivity through Graph-Based Machine Learning (2021) | Rittig, Jan Gerald Ritzert, Martin Schweidtmann, Artur M. Winkler, Stefanie Grohe, Martin Mitsos, Alexander Dahmen, Manuel |
| Designing production-optimal alternative fuels for conventional, flexible-fuel, and ultra-high efficiency engines Erschienen in: Chemical engineering science = Génie chimique (2021) | König, Andrea Siska, Maximilian Schweidtmann, Artur M. Rittig, Jan Gerald Viell, Jörn Mitsos, Alexander Dahmen, Manuel (Corresponding author) |
| Summit: Benchmarking Machine Learning Methods for Reaction Optimisation Erschienen in: Chemistry methods (2021) | Felton, Kobi C. Rittig, Jan Gerald Lapkin, Alexei A. (Corresponding author) |
| Video Tutorial: Graph Neural Network Tool for Predicting Physico-Chemical Properties of Molecules (2020) | Rittig, Jan Gerald Grohe, Martin Dahmen, Manuel Mitsos, Alexander Schweidtmann, Artur M. (Corresponding author) |
| Graph neural networks for prediction of fuel ignition quality (2020) | Schweidtmann, Artur M. Rittig, Jan Gerald König, Andrea Grohe, Martin Mitsos, Alexander (Corresponding author) Dahmen, Manuel |
| Deep End-To-End Learning on Molecular Graphs for Physico-Chemical Property Prediction using Graph Neural Networks : 8th - 9th July 2020 ; 3rd International Conference on Machine Learning an AI in (bio)Chemical Engineering (2020) | Rittig, Jan Gerald Schweidtmann, Artur M. König, Andrea Dahmen, Manuel Grohe, Martin Mitsos, Alexander |
| Graph Neural Networks for Prediction of Fuel Ignition Quality Erschienen in: Energy & fuels (2020) | Schweidtmann, Artur M. Rittig, Jan Gerald König, Andrea Grohe, Martin Mitsos, Alexander Dahmen, Manuel (Corresponding author) |
| Graph Neural Networks for Prediction of Fuel Ignition Quality (2020) | Rittig, Jan Gerald Schweidtmann, Artur M. König, Andrea Ackermann, Philipp Dahmen, Manuel Grohe, Martin Mitsos, Alexander |
| Deep End-To-End Learning on Molecular Graphs for Physico-Chemical Property Prediction using Graph Neural Networks (2020) | Rittig, Jan Gerald Schweidtmann, Artur M. König, Andrea Dahmen, Manuel Grohe, Martin Mitsos, Alexander (Corresponding author) |