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From Electrons to Phase Diagrams with Machine Learning Potentials Using Pyiron Based Automated Workflows

Sarath Menon,Yury Lysogorskiy, Alexander L. M. Knoll, Niklas Leimeroth,Marvin Poul,Minaam Qamar,Jan Janssen,Matous Mrovec,Jochen Rohrer,Karsten Albe,Jörg Behler,Ralf Drautz,Jörg Neugebauer

NPJ COMPUTATIONAL MATERIALS（2024）

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Key words
Materials Informatics,Materials Discovery
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