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Papers matching “data model design” 6

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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
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
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
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
Accessing a Diverse Set of Functional Red-Light Photoswitches by Selective Copper-Catalyzed Indigo N-Arylation
2024 ChemRxiv preprint Materials Science Photochromic and Fluorescence Chemistry Open access

Amit Kumar Jaiswal, Julong Jiang, Kimichi Suzuki, Anna Jasny, Bernd M. Schmidt, Satoshi Maeda, +2 more

0

citations

6 results