| 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), 253-305, 2014 | 2812 | 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 | 847 | 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 | 524 | 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 | 354 | 2017 |
| Ab initio up to the melting point: Anharmonicity and vacancies in aluminum B Grabowski, L Ismer, T Hickel, J Neugebauer Physical Review B—Condensed Matter and Materials Physics 79 (13), 134106, 2009 | 329 | 2009 |
| 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 | 318 | 2019 |
| 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 | 298 | 2007 |
| 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 | 282 | 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 | 242 | 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 | 228 | 2014 |
| 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 | 207 | 2016 |
| 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—Condensed Matter and Materials Physics 78 (3), 033102, 2008 | 206 | 2008 |
| 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 | 182 | 2015 |
| Phonon broadening in high entropy alloys F Körmann, Y Ikeda, B Grabowski, MHF Sluiter npj Computational Materials 3 (1), 36, 2017 | 165 | 2017 |
| Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron F Körmann, A Dick, B Grabowski, T Hickel, J Neugebauer Physical Review B—Condensed Matter and Materials Physics 85 (12), 125104, 2012 | 154 | 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 | 142 | 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 | 135 | 2014 |
| 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 | 130 | 2011 |
| A machine learning approach to model solute grain boundary segregation L Huber, R Hadian, B Grabowski, J Neugebauer npj Computational Materials 4 (1), 64, 2018 | 123 | 2018 |
| 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 | 123 | 2016 |
Jörg NeugebauerDirector, Max-Planck-Institut für EisenforschungVerified email at mpie.de
