Max Planck Institute for Sustainable Materials

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Scientists

Dr. Tilmann Hickel

+49 211 6792 397 +49 211 6792 575 +49 211 6792 465 hickel@...

References

Klaus-Dieter Bauer, Mira Todorova, Kurt Hingerl, and Jörg Neugebauer, "A first principles investigation of zine induced embrittlement at grain boundaries in bcc iron," Acta Materialia 90, 69-76 (2015).

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Li-Fang Zhu, Blazej Grabowski, and Jörg Neugebauer, "Efficient approach to compute melting properties fully from ab initio with application to Cu," Physical Review B 96 (22), 224202 (2017).

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F. Körmann, A. Dick, B. Grabowski, T. Hickel, and J. Neugebauer, "Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron," Physical Review B 85, 125104-1-125104-5 (2012).

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Jan Janßen, Sudarsan Surendralal, Yury Lysogorskiy, Mira Todorova, Tilmann Hickel, Ralf Drautz, and Jörg Neugebauer, "pyiron: An integrated development environment for computational materials sciences," Computational Materials Science 163, 24-36 (2019).

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Research Groups