From

Institution

Field

Type

Open access only Cited by patents (Lens) Include non-Aachen papers (citing/cited)

Reset

Papers 11

Sort: Cited Newest Oldest Fwci Patents ⇩ CSV

Graph Neural Networks for Prediction of Fuel Ignition Quality
2020 Energy & Fuels article Materials Science Machine Learning in Materials Science

Artur M. Schweidtmann, Jan G. Rittig, Andrea Anna König, Martin Grohe, Alexander Mitsos, Manuel Dahmen

142

citations
Graph machine learning for design of high‐octane fuels
2022 AIChE Journal article Materials Science Machine Learning in Materials Science Open access

Jan G. Rittig, Martin Ritzert, Artur M. Schweidtmann, Jana M. Weber, Philipp Morsch, Karl Alexander Heufer, +3 more

36

citations
Molecular machine learning in chemical process design
2026 Current Opinion in Chemical Engineering review Materials Science Machine Learning in Materials Science Open access

Jan G. Rittig, Manuel Dahmen, Martin Grohe, Philippe Schwaller, Alexander Mitsos

5

citations
Exploring data augmentation: Multi-task methods for molecular property prediction
2025 Computers & Chemical Engineering article Materials Science Machine Learning in Materials Science Open access

Timo Gervens, Alexander Mitsos, Martin Grohe, Jan G. Rittig

2

citations
Graph Neural Networks for Prediction of Fuel Ignition Quality
2020 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Artur M. Schweidtmann, Jan G. Rittig, Andrea Anna König, Martin Grohe, Alexander Mitsos, Manuel Dahmen

1

citations
Automated Generation of Mechanistic Models for Chemical Process Digital Twins using Reinforcement Learning - Part II: Compartmentalization and Learning-Based Recalibration
2025 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Jan-Frederic Laub, Jiyizhe Zhang, Mathis Heyer, Alexei A. Lapkin

1

citations
Automated Generation of Mechanistic Models for Chemical Process Digital Twins using Reinforcement Learning - Part II: Compartmentalization and Learning-Based Recalibration
2025 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Jan-Frederic Laub, Jiyizhe Zhang, Mathis Heyer, Alexei A. Lapkin

1

citations
DeepEOSNet: Capturing the dependency on thermodynamic state in property prediction tasks
2026 Computers & Chemical Engineering article Materials Science Machine Learning in Materials Science Open access

Jan Pavšek, Alexander Mitsos, Manuel Dahmen, Jan G. Rittig

0

citations
Clapeyron neural networks for single-species vapor–liquid equilibria
2026 Computers & Chemical Engineering article Materials Science Machine Learning in Materials Science Open access

Jan Pavšek, Alexander Mitsos, Elvis J. Sim, Jan G. Rittig

0

citations
Integrated recycling of polylactide using biomass into renewable fuels: a combined experimental and computational design approach
2026 Sustainable Energy & Fuels article Materials Science biodegradable polymer synthesis and properties Open access

Moreno Ascani, Lisa Burkart, Philipp Ackermann, Tabea Becker, Marian Panofen, Alexander Mitsos, +1 more

0

citations
A systematic comparison of hard- and soft-constrained physics-informed molecular machine learning with the Clapeyron equation
2026 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access

Jan Pavšek, Jan G. Rittig, Alexander Mitsos

0

citations

11 results