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Papers matching “graphs” 20

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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
Graph Machine Learning for Design of High-Octane Fuels
2022 RWTH Publications (RWTH Aachen) preprint Materials Science Machine Learning in Materials Science Open access

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

0

citations
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 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
KNOWLEDGE GRAPH CONSTRUCTION FROM MATERIALS SCIENCE LITERATURE USING LARGE LANGUAGE MODELS AND ADVANCED DATA PREPROCESSING
2026 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Nasrin Mohammadi, Max Dreger, Diego Collarana, Mohammad J. Eslamibidgoli, Kourosh Malek, Michael Hermann Eikerling

1

citations
Large language models for knowledge graph extraction from tables in materials science
2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

Max Dreger, Kourosh Malek, Michael Hermann Eikerling

14

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

1

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

8

citations
Molecular Machine Learning in Chemical Process Design
2025 JuSER (Forschungszentrum Jülich) preprint Materials Science Machine Learning in Materials Science Open access

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

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
An exploration of contrastive self-supervised learning for reconstructed atom probe tomography data
2026 Machine Learning Science and Technology article Materials Science Advanced Materials Characterization Techniques Open access

Janis A. Sälker, Marcus Hans, Jochen M. Schneider, Raheleh Hadian

0

citations
Profusion of transition pathways for interacting hysterons
2021 Physical review. E article Materials Science Magnetic Properties and Applications Open access

Martin van Hecke

44

citations
Objectivity and accuracy enhancement within ANN‐based multiscale material modeling
2023 PAMM article Materials Science Machine Learning in Materials Science Open access

Yousef Heider, WaiChing Sun

3

citations
Thermophysical Properties of Al–Ti Binary Liquid Alloys
2025 International Journal of Thermophysics article Materials Science Thermodynamic and Structural Properties of Metals and Alloys Open access

Jürgen Brillo, Johanna Harpur, Hidekazu Kobatake, Hiroyuki Fukuyama

1

citations
Market
2022 Fibers book-chapter Materials Science Textile materials and evaluations Open access

Dieter Veit

0

citations
An openBIS Inventory of Crystalline Materials Derived from the Materials Project Database (v2026.04.13)
2026 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Machine Learning in Materials Science Open access

Khalil Rejiba, U. Kerzel

0

citations
An openBIS Inventory of Crystalline Materials Derived from the Materials Project Database (v2026.04.13)
2026 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Machine Learning in Materials Science Open access

Khalil Rejiba, U. Kerzel

0

citations
Autonomous Image Analysis to Accelerate the Discovery and Integration of Energy Materials
2026 JuSER (Forschungszentrum Jülich) dissertation Materials Science Machine Learning in Materials Science Open access

André Colliard-Granero

0

citations
Graphical Fourier-coefficient analysis as a paper-based method for teaching structure factors
2026 Acta Crystallographica Section E Crystallographic Communications article Materials Science X-ray Diffraction in Crystallography Open access

Thomas E. Weirich

0

citations
Impact of Gas Conversion Ratios on Impedance Response and Non-Linear Behavior of SOECs in Co-Electrolysis Mode
2025 ECS Meeting Abstracts conference-abstract Materials Science Advancements in Solid Oxide Fuel Cells

Obinna Edeh, Dominik Schäfer, Remzi Can Samsun, Rüdiger‐A. Eichel

0

citations

20 results