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20222026
most citedFrom electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyiron

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cond-mat.mtrl-sci2024★ 2 cited

From electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyiron

Sarath Menon, Yury Lysogorskiy, Alexander L. M. Knoll +10

We present a comprehensive and user-friendly framework built upon the pyiron integrated development environment (IDE), enabling researchers to perform the entire Machine Learning P…