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Jan G. Rittig

RWTH Aachen University

14H-index
44Paper Count
641Citation Count
Published Papers 13
Publication Date
Predicting the equivalent alkane carbon number of oils using graph neural networks and quantum mechanical descriptors
err2025-09-30
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errOAAI
errChristoforos Brozos; Sandip Bhattacharya; Jan G. Rittig; Elie Akanny; Philipp Eiden; Alexander Mitsos
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Exploring data augmentation: Multi-task methods for molecular property prediction
err2025-07-02
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errOAAI
errMuhammad bin Javaid; Timo Gervens; Alexander Mitsos; Martin Grohe; Jan G. Rittig
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Predicting the temperature-dependent CMC of surfactant mixtures with graph neural networks
err2025-03-01
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errOAAI
errBrozos, Christoforos; Rittig, Jan G.; Akanny, Elie; Bhattacharya, Sandip; Kohlmann, Christina; Mitsos, Alexander
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GraphXForm: graph transformer for computer-aided molecular design
err2025-01-01
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errOAAI
errPirnay, Jonathan; Rittig, Jan G.; Wolf, Alexander B.; Grohe, Martin; Burger, Jakob; Mitsos, Alexander; Grimm, Dominik G.
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ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction
err2024-07-01
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errOAAI
errFelton, Kobi C.; Rasspe-Lange, Lukas; Rittig, Jan G.; Leonhard, Kai; Mitsos, Alexander; Meyer-Kirschner, Julian; Knoesche, Carsten; Lapkin, Alexei A.
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Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks
err2024-06-26
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errOAAI
errBrozos, Christoforos; Rittig, Jan G.; Bhattacharya, Sandip; Akanny, Elie; Kohlmann, Christina; Mitsos, Alexander
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Thermodynamics-consistent graph neural networks
err2024-01-01
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errOAAI
errRittig, Jan G.; Mitsos, Alexander
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Physical pooling functions in graph neural networks for molecular property prediction
err2023-04-01
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errOAAI
errSchweidtmann, Artur M.; Rittig, Jan G.; Weber, Jana M.; Grohe, Martin; Dahmen, Manuel; Leonhard, Kai; Mitsos, Alexander
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Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids
err2023-03-01
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errOAAI
errRittig, Jan G.; Hicham, Karim Ben; Schweidtmann, Artur M.; Dahmen, Manuel; Mitsos, Alexander
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Gibbs-Duhem-informed neural networks for binary activity coefficient prediction
err2023-01-01
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errOAAI
errRittig, Jan G.; Felton, Kobi C.; Lapkin, Alexei A.; Mitsos, Alexander
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Graph machine learning for design of high-octane fuels
err2022-12-22
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errOAAI
errRittig, Jan G. G.; Ritzert, Martin; Schweidtmann, Artur M. M.; Winkler, Stefanie; Weber, Jana M. M.; Morsch, Philipp; Heufer, Karl Alexander; Grohe, Martin; Mitsos, Alexander; Dahmen, Manuel
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Designing production-optimal alternative fuels for conventional, flexible-fuel, and ultra-high efficiency engines
err2021-06-01
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PREAI
errKoenig, Andrea; Siska, Maximilian; Schweidtmann, Artur M.; Rittig, Jan G.; Viell, Jorn; Mitsos, Alexander; Dahmen, Manuel
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