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
Peitao LiuUniversity of ViennaVerified email at univie.ac.at
Friedhelm BechstedtProfessor für Festkörpertheorie, Friedrich Schiller Universität JenaVerified email at ifto.physik.uni-jena.de
Maxim ShishkinKyoto UniversityVerified email at kyoto-u.ac.jp
Anders mikkelsenProfessor, Department of Physics, Lund UniversityVerified email at sljus.lu.se
Anderson JanottiUniversity of DelawareVerified email at udel.edu
Ryosuke JinnouchiToyota Central R&D Labs., Inc.Verified email at mosk.tytlabs.co.jp
Pascal RaybaudIFP Energies nouvellesVerified email at ifpen.fr
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
Ulrike DieboldTU Wien / Vienna University of TechnologyVerified email at iap.tuwien.ac.at
Carla VerdiUniversity of QueenslandVerified email at uq.edu.au
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


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
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	115059	1996
From ultrasoft pseudopotentials to the projector augmented-wave method G Kresse, D Joubert Physical review b 59 (3), 1758, 1999	80538	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	70907	1996
Ab initio molecular dynamics for liquid metals G Kresse, J Hafner Physical review B 47 (1), 558, 1993	46214	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	22523	1994
Ab initio molecular dynamics for open-shell transition metals G Kresse, J Hafner Physical Review B 48 (17), 13115, 1993	7995	1993
Computational Mater G Kresse, J Furthmüller Sci 6 (1), 15, 1996	6210	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	5524	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	2946	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	2751	2014
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	2733	2006
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	1466	2008
Software VASP, vienna (1999) G Kresse, J Furthmüller Phys. Rev. B 54 (11), 169, 1996	1461	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	1409	2016
Self-consistent calculations for semiconductors and insulators M Shishkin, G Kresse Physical Review B—Condensed Matter and Materials Physics 75 (23), 235102, 2007	1111	2007
Ab initio molecular dynamics for liquid metals G Kresse Journal of Non-Crystalline Solids 192, 222-229, 1995	1059	1995
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	1056	2005
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	1048	2006
D. Joubert Phys. Rev. B G Kresse Condens. Matter Mater. Phys 59, 1758, 1999	1005	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	954	1995

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