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Papers matching “structured data” 164

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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
Towards generalized machine learning models for dislocation image analysis: a parametric based synthetic data approach
2025 JuSER (Forschungszentrum Jülich) dissertation Materials Science Machine Learning in Materials Science Open access

Kishan Govind

0

citations
kMap.py: A Python program for simulation and data analysis in photoemission tomography
2021 Computer Physics Communications article Materials Science Electron and X-Ray Spectroscopy Techniques Open access

Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, Frank Stefan Tautz, Peter Puschnig

1

citations
Data-mining of in-situ TEM experiments: Towards understanding nanoscale fracture
2022 Computational Materials Science article Materials Science Microstructure and mechanical properties Open access

Dominik Steinberger, Inas Issa, Rachel Strobl, Peter Julian Imrich, Daniel Kiener, Stefan Sandfeld

10

citations
Predicting the dissolution of metal-based nanoparticles by means of QSPRs and the effect of data augmentation
2025 NanoImpact article Materials Science Machine Learning in Materials Science Open access

Yuchao Song, Surendra Balraadjsing, Willie J.G.M. Peijnenburg, Martina G. Vijver

14

citations
Multidimensional Rietveld refinement of high-pressure neutron diffraction data of PbNCN
2024 Journal of Applied Crystallography article Materials Science X-ray Diffraction in Crystallography Open access

Yannick Meinerzhagen, Katharina Eickmeier, Peter C. Müller, Jan Hempelmann, Andreas Houben, Richard Dronskowski

5

citations
Accelerated composition optimization of hybrid perovskites via data-driven materials design, DFT calculations and synthesis
2025 Materials & Design article Materials Science Machine Learning in Materials Science Open access

Nane Petrosyan, Gurgen Kolotyan, Arpine Kozmanyan, Hayk Zakaryan, Michael Josef Schöning, A. V. Asatryan, +1 more

4

citations
Data set for phase-field simulation of epitaxial crystal growth in open fractures with lateral flow
2023 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Solidification and crystal growth phenomena Open access

Michael Späth, Michael A. Selzer, Benjamin Busch, Daniel Schneider, Christoph Hilgers, Janos Lajos Urai, +1 more

1

citations
Data set for phase-field simulation of epitaxial crystal growth in open fractures with lateral flow
2023 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Solidification and crystal growth phenomena Open access

Michael Späth, Michael A. Selzer, Benjamin Busch, Daniel Schneider, Christoph Hilgers, Janos Lajos Urai, +1 more

0

citations
kMap.py: A Python program for simulation and data analysis in photoemission tomography
2020 arXiv (Cornell University) preprint Materials Science Electron and X-Ray Spectroscopy Techniques Open access

Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, Frank Stefan Tautz, Peter Puschnig

23

citations
Machine Learning-based estimation and explainable artificial intelligence-supported interpretation of the critical temperature from magnetic ab initio Heusler alloys data
2025 Physical Review Materials article Materials Science Machine Learning in Materials Science Open access

Robin Hilgers, Daniel Wortmann, Stefan Blügel

9

citations
Machine Learning-based estimation and explainable artificial intelligence-supported interpretation of the critical temperature from magnetic ab initio Heusler alloys data
2023 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access

Robin Hilgers, Daniel Wortmann, Stefan Blügel

4

citations
Research data for "Real-Space Visualization of the Intrinsic Aging in N-type Mg3(Sb, Bi)2 Thermoelectrics"
2026 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Advanced Thermoelectric Materials and Devices Open access

Yuxiang Gong, Nuo Qu, Sumayya, Yuke Zhu, Jianbo Zhu, Tinglu Song, +8 more

1

citations
Research data for "Real-Space Visualization of the Intrinsic Aging in N-type Mg3(Sb, Bi)2 Thermoelectrics"
2026 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Advanced Thermoelectric Materials and Devices Open access

Yuxiang Gong, Nuo Qu, Sumayya, Yuke Zhu, Jianbo Zhu, Tinglu Song, +8 more

1

citations
A Machine Learning Enabled Image‐data‐driven End‐to‐end Mechanical Field Predictor For Dual‐Phase Steel
2023 PAMM article Materials Science Machine Learning in Materials Science Open access

Binbin Lin, Setareh Medghalchi, Sandra Korte‐Kerzel, Bai‐Xiang Xu

10

citations
Revisiting claims of natural monocrystalline lonsdaleite: a re-assessment of published data
2025 Physics and Chemistry of Minerals article Materials Science Diamond and Carbon-based Materials Research Open access

Thomas E. Weirich

0

citations
Data set for report based on DC-operated near-infrared light emitting diode based on MOCVD-grown WSe2 monolayers
2026 DuEData dataset Materials Science 2D Materials and Applications Open access

Tobiloba Grace Fabunmi, Melike Seda Kartal, Songyao Tang, Henrik Myja, Nicole Stracke, Yibing Wang, +6 more

0

citations
Generating Input Data for Microstructure Modelling: A Deep Learning Approach Using Generative Adversarial Networks
2020 Materials article Materials Science Machine Learning in Materials Science Open access

Felix Pütz, Manuel Henrich, Niklas C. Fehlemann, Sebastian Münstermann

26

citations
Generating Input Data for Microstructure Modelling: A Deep Learning Approach Using Generative Adversarial Networks
2020 Preprints.org preprint Materials Science Machine Learning in Materials Science Open access

Felix Pütz, Manuel Henrich, Niklas C. Fehlemann, Sebastian Münstermann

7

citations
The human factor: results of a small-angle scattering data analysis round robin
2023 Journal of Applied Crystallography article Materials Science X-ray Diffraction in Crystallography Open access

Brian Richard Pauw, Glen J. Smales, Andy S. Anker, V. Annadurai, Daniel M. Balazs, Ralf Bienert, +42 more

4

citations
Enhancements and Updates to AIXtal: A User-Friendly Platform for X-ray and Neutron Diffraction Data Refinement
2026 Zenodo (CERN European Organization for Nuclear Research) article Materials Science X-ray Diffraction in Crystallography Open access

Noah Nachtigall, Andreas Houben, Richard Dronskowski

0

citations
Computational raw data for "One-Step Access to Ultra-Bright Macrocyclic Oligo-BODIPYs Featuring Long-Lived Cyclic Excitons"
2026 Zenodo (CERN European Organization for Nuclear Research) other Materials Science Luminescence and Fluorescent Materials Open access

Mike Pauls, Nils van Staalduinen, Christoph Bannwarth

0

citations
Enhancements and Updates to AIXtal: A User-Friendly Platform for X-ray and Neutron Diffraction Data Refinement
2026 Zenodo (CERN European Organization for Nuclear Research) article Materials Science Machine Learning in Materials Science Open access

Noah Nachtigall, Andreas Houben, Richard Dronskowski

0

citations
Data‐driven inverse design and optimisation of silica aerogel model networks
2023 PAMM article Materials Science Machine Learning in Materials Science Open access

Prakul Pandit, Rasul Abdusalamov, Mikhail Itskov, Barbara Milow, Ameya Rege

4

citations
Application of batch learning for boosting high-throughput ab initio success rates and reducing computational effort required using data-driven processes
2025 Electronic Structure article Materials Science Machine Learning in Materials Science Open access

Robin Hilgers, Daniel Wortmann, Stefan Blügel

2

citations