If you have published a paper and/or notebook using pyiron and would like to host it here, please let us know!

• A fully automated approach to calculate the melting temperature of elemental crystals

  Li-Fang Zhu | Jan Janssen | Shoji Ishibashi | Fritz Körmann | Blazej Grabowski | Joerg Neugebauer

  Computational Materials Science 187, 110065

  February 01, 2021

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• Generalized dipole correction for charged surfaces in the repeated-slab approach

  Christoph Freysoldt | Arpit Mishra | Michael Ashton | Joerg Neugebauer

  Physical Review B 102, 045403

  July 01, 2020

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• Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy

  Huan Zhao | Liam Huber | Wenjun Lu | Nicolas J. Peter | Dayong An | Frédéric De Geuser | Gerhard Dehm | Dirk Ponge | Joerg Neugebauer | Baptiste Gault | Dierk Raabe

  Physical Review Letters 124, 106102

  March 09, 2020

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• pyiron: An integrated development environment for computational materials science

  Jan Janssen | Sudarsan Surendralal | Yury Lysogorskiy | Mira Todorova | Tilmann Hickel | Ralf Drautz | Jörg Neugebauer

  Computational Materials Science 163, 24-26

  June 01, 2019

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