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Papers matching “software extension” 9

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OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations
2021 SoftwareX software-paper Materials Science Microstructure and mechanical properties Open access

Prince Henry Serrao, Stefan Sandfeld, Aruna Prakash

13

citations
Atomate2: modular workflows for materials science
2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

Alex M. Ganose, Hrushikesh P. Sahasrabuddhe, Mark Asta, Tathagata Biswas, Alexander Bonkowski, Joana Bustamante, +48 more

43

citations
Atomate2: Modular workflows for materials science
2025 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Alex M. Ganose, Hrushikesh P. Sahasrabuddhe, Mark Asta, Tathagata Biswas, Alexander Bonkowski, Joana Bustamante, +46 more

8

citations
CCP 4 Cloud for structure determination and project management in macromolecular crystallography
2022 Acta Crystallographica Section D Structural Biology article Materials Science Enzyme Structure and Function Open access cited by 2 patents

Eugene Krissinel, Andrey A. Lebedev, Ville Uski, Charles Ballard, Ronan M. Keegan, Oleg V. Kovalevskiy, +25 more

89

citations
High-Intensity Focused Ultrasound-Induced Disulfide Mechanophore Activation in Polymeric Nanostructures for Molecule Release
2024 CCS Chemistry article Materials Science Polymer composites and self-healing Open access

Jilin Fan, Kuan Zhang, Mingjun Xuan, Xiang Gao, Rostislav A. Vinokur, Robert Göstl, +2 more

12

citations
Extensive Unified Thermo-Electric Module Characterization
2020 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Advanced Thermoelectric Materials and Devices Open access

Carlo Guarnieri Calò Carducci, Maurizio Spadavecchia, Filippo Attivissimo

0

citations
Extensive Unified Thermo-Electric Module Characterization
2020 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Advanced Thermoelectric Materials and Devices Open access

Carlo Guarnieri Calò Carducci, Maurizio Spadavecchia, Filippo Attivissimo

0

citations
Deductive molecular mechanics of carbon allotropes (Review article)
2020 Low Temperature Physics article Materials Science Boron and Carbon Nanomaterials Research Open access

Andrei L. Tchougréeff, Richard Dronskowski

4

citations
Filling the Gaps: Machine Learning Prediction of Sparse Mineral Phase Data
2026 conference-abstract Materials Science Electron and X-Ray Spectroscopy Techniques Open access

Julia Schmitz, Joyce Schmatz, Mingze Jiang, Eva Wellmann, Mara Weiler, Friedrich Hawemann, +1 more

0

citations

9 results