Georg Kresse

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Jürgen FurthmüllerFriedrich-Schiller-Universität JenaVerified email at uni-jena.de
Martijn MarsmanUniversity Vienna, Faculty of Physics and Center for Computational Materials ScienceVerified email at univie.ac.at
Cesare FranchiniUniversity of Vienna & University of BolognaVerified email at univie.ac.at
Joachim PaierFriedrich-Alexander-Universität Erlangen-NürnbergVerified email at fau.de
Andreas GrüneisVienna University of TechnologyVerified email at tuwien.ac.at
Edvin LundgrenProfessor, Lund UniversityVerified email at sljus.lu.se
Chris G. Van de WalleProfessor of Materials, University of California, Santa BarbaraVerified email at mrl.ucsb.edu
Friedhelm BechstedtProfessor für Festkörpertheorie, Friedrich Schiller Universität JenaVerified email at ifto.physik.uni-jena.de
Maxim ShishkinKyoto UniversityVerified email at kyoto-u.ac.jp
Peitao LiuUniversity of ViennaVerified email at univie.ac.at
Anders mikkelsenProfessor, Department of Physics, Lund UniversityVerified email at sljus.lu.se
Anderson JanottiUniversity of DelawareVerified email at udel.edu
Pascal RaybaudIFP Energies nouvellesVerified email at ifpen.fr
Ryosuke JinnouchiToyota Central R&D Labs., Inc.Verified email at mosk.tytlabs.co.jp
Jiri KlimesResearcher (academic), Faculty of Mathematics and Physics, Charles University, PragueVerified email at karlov.mff.cuni.cz
János G. ÁngyánCRM2 CNRS & Université de LorraineVerified email at univ-lorraine.fr
Menno BokdamUniversity of TwenteVerified email at utwente.nl
Carla VerdiUniversity of QueenslandVerified email at uq.edu.au
Ulrike DieboldTU Wien / Vienna University of TechnologyVerified email at iap.tuwien.ac.at
Dipankar Das Sarma (D D Sarma)Indian Institute of ScienceVerified email at iisc.ac.in

Georg Kresse

University of Vienna, Faculty of Physics, Professor for Computational Quantum Mechanics

Verified email at univie.ac.at - Homepage

density functional theory first principles calculations many body theory condensed matter physics materials science


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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set G Kresse, J Furthmüller Physical review B 54 (16), 11169, 1996	109949	1996
From ultrasoft pseudopotentials to the projector augmented-wave method G Kresse, D Joubert Physical review b 59 (3), 1758, 1999	77160	1999
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set G Kresse, J Furthmüller Computational materials science 6 (1), 15-50, 1996	67713	1996
Ab initio molecular dynamics for liquid metals G Kresse, J Hafner Physical review B 47 (1), 558, 1993	44592	1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium G Kresse, J Hafner Physical Review B 49 (20), 14251, 1994	21779	1994
Ab initio molecular dynamics for open-shell transition metals G Kresse, J Hafner Physical Review B 48 (17), 13115, 1993	7741	1993
Computational Mater G Kresse, J Furthmüller Sci 6 (1), 15, 1996	6187	1996
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements G Kresse, J Hafner Journal of Physics: Condensed Matter 6 (40), 8245, 1994	5413	1994
Linear optical properties in the projector-augmented wave methodology M Gajdoš, K Hummer, G Kresse, J Furthmüller, F Bechstedt Physical Review B—Condensed Matter and Materials Physics 73 (4), 045112, 2006	2807	2006
Screened hybrid density functionals applied to solids J Paier, M Marsman, K Hummer, G Kresse, IC Gerber, JG Ángyán The Journal of chemical physics 124 (15), 2006	2652	2006
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	2598	2014
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study F Oba, A Togo, I Tanaka, J Paier, G Kresse Physical Review B—Condensed Matter and Materials Physics 77 (24), 245202, 2008	1462	2008
Software VASP, vienna (1999) G Kresse, J Furthmüller Phys. Rev. B 54 (11), 169, 1996	1439	1996
Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), aad3000, 2016	1328	2016
Self-consistent calculations for semiconductors and insulators M Shishkin, G Kresse Physical Review B—Condensed Matter and Materials Physics 75 (23), 235102, 2007	1086	2007
Implementation and performance of the frequency-dependent method within the PAW framework M Shishkin, G Kresse Physical Review B—Condensed Matter and Materials Physics 74 (3), 035101, 2006	1028	2006
The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set J Paier, R Hirschl, M Marsman, G Kresse The Journal of chemical physics 122 (23), 2005	1011	2005
Ab initio molecular dynamics for liquid metals G Kresse Journal of Non-Crystalline Solids 192, 222-229, 1995	1007	1995
D. Joubert Phys. Rev. B G Kresse Condens. Matter Mater. Phys 59, 1758, 1999	1001	1999
Ab initio force constant approach to phonon dispersion relations of diamond and graphite G Kresse, J Furthmüller, J Hafner Europhysics Letters 32 (9), 729, 1995	927	1995

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