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From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows

S. Menon, Y. Lysogorskiy, A. Knoll, N. Leimeroth, M. Poul, M. Qamar, J. Janssen, M. Mrovec, J. Rohrer, K. Albe, J. Behler, R. Drautz, J. Neugebauer, C. Brabec

npj Computational Materials, 10, 261, (2024)

DOI: 10.1038/s41524-024-01441-0

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{"type":"article", "name":"s.menon202411", "author":"S. Menon and Y. Lysogorskiy and A. Knoll and N. Leimeroth and M. Poul and M. Qamar and J. Janssen and M. Mrovec and J. Rohrer and K. Albe and J. Behler and R. Drautz and J. Neugebauer and C. Brabec", "title":"From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows", "journal":"npj Computational Materials", "volume":"10", "OPTnumber":"1", "OPTmonth":"11", "year":"2024", "OPTpages":"261", "OPTnote":"", "OPTkey":"", "DOI":"10.1038/s41524-024-01441-0"}
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