Blazej Grabowski

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Jörg NeugebauerDirector, Max-Planck-Institut für EisenforschungVerified email at mpie.de
Tilmann HickelMax-Planck-Institut für EisenforschungVerified email at mpie.de
Fritz KörmannDelft University of Technology, Max-Planck-Institut für Eisenforschung GmbHVerified email at mpie.de
Dierk RaabeMax-Planck-Institut für Eisenforschung GmbHVerified email at mpie.de
Yuji IkedaUniversität StuttgartVerified email at imw.uni-stuttgart.de
Albert GlenskPostDoc at Ecole Polytechnique Fédérale de LausanneVerified email at epfl.ch
Won-Seok KoDepartment of Materials Science and Engineering, Inha UniversityVerified email at inha.ac.kr
Duancheng MaUmicore AG & Co. KGVerified email at eu.umicore.com
Xi ZhangUniversity of StuttgartVerified email at imw.uni-stuttgart.de
Sherri (R) HadianMax-Planck-Institut für Eisenforschung GmbHVerified email at mpie.de
Li-Fang ZhuMax-Planck-Institut für Eisenforschung GmbHVerified email at mpie.de
Sergiy V. DivinskiUniversity of MünsterVerified email at wwu.de
Andrew Ian DuffDaresbury LaboratoryVerified email at stfc.ac.uk
Ali Bina (Nematollahi)Artificial Intelligence Expert for Material research, BASF, Max-Planck InstituteVerified email at mpie.de
Chris G. Van de WalleProfessor of Materials, University of California, Santa BarbaraVerified email at mrl.ucsb.edu
Anderson JanottiUniversity of DelawareVerified email at udel.edu
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsVerified email at univie.ac.at
Biswanath DuttaPost-doc at Materials Science and Engineering department, TU DelftVerified email at tudelft.nl
Prashanth SrinivasanHumboldt Fellow | Post-Doctoral ResearcherVerified email at imw.uni-stuttgart.de
C. Cem TasanMITVerified email at mit.edu

Blazej Grabowski

Institute for Materials Science, University of Stuttgart

Verified email at imw.uni-stuttgart.de - Homepage

Finite temperature DFT Thermodynamics Materials modelling


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First-principles calculations for point defects in solids C Freysoldt, B Grabowski, T Hickel, J Neugebauer, G Kresse, A Janotti, ... Reviews of modern physics 86 (1), 253, 2014	1958	2014
A map for phase-change materials D Lencer, M Salinga, B Grabowski, T Hickel, J Neugebauer, M Wuttig Nature Materials 7 (12), 972-977, 2008	735	2008
Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one D Ma, B Grabowski, F Körmann, J Neugebauer, D Raabe Acta Materialia 100, 90-97, 2015	366	2015
Ab initio up to the melting point: Anharmonicity and vacancies in aluminum B Grabowski, L Ismer, T Hickel, J Neugebauer Physical Review B 79 (13), 134106, 2009	281	2009
Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends B Grabowski, T Hickel, J Neugebauer Physical Review B 76 (2), 024309, 2007	258	2007
Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity Z Li, F Körmann, B Grabowski, J Neugebauer, D Raabe Acta Materialia 136, 262-270, 2017	247	2017
Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex alloys Y Ikeda, B Grabowski, F Körmann Materials Characterization 147, 464-511, 2019	197	2019
Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition WS Ko, B Grabowski, J Neugebauer Physical Review B 92 (13), 134107, 2015	189	2015
Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions F Körmann, A Dick, B Grabowski, B Hallstedt, T Hickel, J Neugebauer Physical Review B 78 (3), 033102, 2008	187	2008
Breakdown of the Arrhenius law in describing vacancy formation energies: the importance of local anharmonicity revealed by ab initio thermodynamics A Glensk, B Grabowski, T Hickel, J Neugebauer Physical Review X 4 (1), 011018, 2014	185	2014
Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys WS Ko, SB Maisel, B Grabowski, JB Jeon, J Neugebauer Acta Materialia 123, 90-101, 2017	164	2017
Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment HS Oh, D Ma, GP Leyson, B Grabowski, ES Park, F Körmann, D Raabe Entropy 18 (9), 321, 2016	143	2016
Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron F Körmann, A Dick, B Grabowski, T Hickel, J Neugebauer Physical Review B 85 (12), 125104, 2012	134	2012
Origin of shear induced β to ω transition in Ti–Nb-based alloys MJ Lai, CC Tasan, J Zhang, B Grabowski, LF Huang, D Raabe Acta Materialia 92, 55-63, 2015	130	2015
Advancing density functional theory to finite temperatures: methods and applications in steel design T Hickel, B Grabowski, F Körmann, J Neugebauer Journal of Physics: Condensed Matter 24 (5), 053202, 2011	122	2011
Understanding Anharmonicity in fcc Materials: From its Origin to ab initio Strategies beyond the Quasiharmonic Approximation A Glensk, B Grabowski, T Hickel, J Neugebauer Physical review letters 114 (19), 195901, 2015	116	2015
Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment L Zhou, F Körmann, D Holec, M Bartosik, B Grabowski, J Neugebauer, ... Physical Review B 90 (18), 184102, 2014	108	2014
Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment F Körmann, B Grabowski, B Dutta, T Hickel, L Mauger, B Fultz, ... Physical review letters 113 (16), 165503, 2014	102	2014
Phonon broadening in high entropy alloys F Körmann, Y Ikeda, B Grabowski, MHF Sluiter npj Computational Materials 3 (1), 36, 2017	93	2017
Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC AI Duff, T Davey, D Korbmacher, A Glensk, B Grabowski, J Neugebauer, ... Physical Review B 91 (21), 214311, 2015	92	2015

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