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Molecular Design of Fuels for Maximum Spark-Ignition Engine Efficiency by Combining Predictive Thermodynamics and Machine Learning2023 Energy & Fuels article Chemical Engineering Advanced Combustion Engine Technologies Open access
Lorenz Fleitmann, Philipp Ackermann, Johannes Schilling, Johanna Kleinekorte, Jan G. Rittig, Florian vom Lehn, +6 more
25citations -
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 -
The role of trust in the use of artificial intelligence for chemical risk assessment2024 Regulatory Toxicology and Pharmacology article Chemical Engineering Chemical Safety and Risk Management Open access
Pim N.H. Wassenaar, Jordi Minnema, Jelle Vriend, Willie J.G.M. Peijnenburg, Jeroen L. A. Pennings, Anne S. Kienhuis
30citations -
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
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