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Erscheinungsdatum	Titel	Autor(en)
2020	Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys	Ishibashi, Shoji; Ikeda, Yuji; Körmann, Fritz; Grabowski, Blazej; Neugebauer, Jörg
2018	Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni	Zhang, Xi; Grabowski, Blazej; Körmann, Fritz; Ruban, Andrei V.; Gong, Yilun; Reed, Roger C.; Hickel, Tilmann; Neugebauer, Jörg
2018	Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni	Gong, Yilun; Grabowski, Blazej; Glensk, Albert; Körmann, Fritz; Neugebauer, Jörg; Reed, Roger C.
2017	Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures	Zhang, Xi; Grabowski, Blazej; Körmann, Fritz; Freysoldt, Christoph; Neugebauer, Jörg
2018	Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling: a combined spin and ab Initio molecular dynamics study	Stockem, Irina; Bergman, Anders; Glensk, Albert; Hickel, Tilmann; Körmann, Fritz; Grabowski, Blazej; Neugebauer, Jörg; Alling, Björn
2021	Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials	Gubaev, Konstantin; Ikeda, Yuji; Tasnádi, Ferenc; Neugebauer, Jörg; Shapeev, Alexander V.; Grabowski, Blazej; Körmann, Fritz
2020	Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: application to Al and magnetic Ni	Zhu, Li-Fang; Körmann, Fritz; Ruban, Andrei V.; Neugebauer, Jörg; Grabowski, Blazej
2016	Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics	Alling, Björn; Körmann, Fritz; Grabowski, Blazej; Glensk, Albert; Abrikosov, Igor A.; Neugebauer, Jörg
2021	Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys	Ikeda, Yuji; Gubaev, Konstantin; Neugebauer, Jörg; Grabowski, Blazej; Körmann, Fritz
2023	Anharmonicity in bcc refractory elements : a detailed ab initio analysis	Srinivasan, Prashanth; Shapeev, Alexander; Neugebauer, Jörg; Körmann, Fritz; Grabowski, Blazej