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Development and application of semi-empirical interatomic potentials to study interface faceting and fracture
Alam, Md Masud
;
Schmidt, Wolf
;
Neugebauer, Jörg
;
Lindner, Jörg
;
Reichelt, Matthias
Elektronische Ressource, Paderborn, 2022
Interstitial solution enthalpies derived from first-principles
knowledge discovery using high-throughput databases
Aydin, Ugur
;
Neugebauer, Jörg
;
Schmidt, W. Gero
;
Universität Paderborn
Elektronische Ressource, Paderborn, 2016
Anharmonic contributions to ab initio computed thermodynamic material properties
Glensk, Albert
;
Finnis, Michael W.
;
Schmidt, W. Gero
;
Neugebauer, Jörg
Elektronische Ressource, Paderborn, 2016
pyiron - an integrated development environment for ab initio thermodynamics
Janßen, Jan
;
Meier, Cedrik
;
Schmidt, W. Gero
;
Neugebauer, Jörg
Elektronische Ressource, Paderborn, 2021