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 KörmannUniversity of Stuttgart, ICAMS Bochum, MPIE DüsseldorfVerified email at mpie.de
Yuji IkedaUniversität StuttgartVerified email at imw.uni-stuttgart.de
Dierk RaabeMax Planck Institute for Sustainable MaterialsVerified email at mpie.de
Albert GlenskPostDoc at Ecole Polytechnique Fédérale de LausanneVerified email at epfl.ch
Xi ZhangUniversity of StuttgartVerified email at imw.uni-stuttgart.de
Won-Seok KoDepartment of Materials Science and Engineering, Inha UniversityVerified email at inha.ac.kr
Sergiy V. DivinskiUniversity of MünsterVerified email at wwu.de
Prashanth SrinivasanHumboldt Fellow | Post-Doctoral ResearcherVerified email at imw.uni-stuttgart.de
Duancheng MaUmicore AG & Co. KGVerified email at eu.umicore.com
Andrew Ian DuffDaresbury LaboratoryVerified email at stfc.ac.uk
Li-Fang ZhuMax-Planck-Institut für Eisenforschung GmbHVerified email at mpie.de
Alexander ShapeevSkolkovo Institute of Science and TechnologyVerified email at shapeev.com
Sherri HadianSAP SEVerified email at sap.com
Gerhard WildeProfessor der Physik, Universität MünsterVerified email at uni-muenster.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
Łukasz RogalInstitute of Metallurgy and Material Science Polish Academy of Science, Reymonta 25 Str. KrakowVerified email at imim.pl

Blazej Grabowski

Institute for Materials Science, University of Stuttgart

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

Finite temperature DFT Thermodynamics Materials modelling Machine-learning potentials


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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	2398	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	795	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	456	2015
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	317	2017
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	307	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	285	2007
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	270	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	241	2015
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	213	2017
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	209	2014
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	205	2008
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	185	2016
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	159	2015
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	149	2012
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	136	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	127	2011
Phonon broadening in high entropy alloys F Körmann, Y Ikeda, B Grabowski, MHF Sluiter npj Computational Materials 3 (1), 36, 2017	126	2017
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	122	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	117	2014
The role of metastable LPSO building block clusters in phase transformations of an Mg-Y-Zn alloy JK Kim, WS Ko, S Sandlöbes, M Heidelmann, B Grabowski, D Raabe Acta Materialia 112, 171-183, 2016	109	2016

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