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 PaierResearcher, Humboldt University BerlinVerified email at chemie.hu-berlin.de
Andreas GrüneisVienna University of TechnologyVerified email at tuwien.ac.at
Edvin LundgrenProfessor, Lund UniversityVerified email at sljus.lu.se
Friedhelm BechstedtProfessor für Festkörpertheorie, Friedrich Schiller Universität JenaVerified email at ifto.physik.uni-jena.de
Chris G. Van de WalleProfessor of Materials, University of California, Santa BarbaraVerified email at mrl.ucsb.edu
Maxim ShishkinKyoto UniversityVerified email at kyoto-u.ac.jp
Pascal RaybaudIFP Energies nouvellesVerified email at ifpen.fr
János G. ÁngyánCRM2 CNRS & Université de LorraineVerified email at univ-lorraine.fr
Anderson JanottiUniversity of DelawareVerified email at udel.edu
Ulrike DieboldTU Wien / Vienna University of technologVerified email at iap.tuwien.ac.at
Jiri KlimesResearcher (academic), Faculty of Mathematics and Physics, Charles University, PragueVerified email at karlov.mff.cuni.cz
Peitao LiuUniversity of ViennaVerified email at univie.ac.at
Menno BokdamUniversity of TwenteVerified email at utwente.nl
Dipankar Das Sarma (D D Sarma)Indian Institute of ScienceVerified email at iisc.ac.in
Fumiyasu ObaLaboratory for Materials and Structures, Tokyo Institute of TechnologyVerified email at msl.titech.ac.jp
Philippe SautetProfessor, University of California, Los AngelesVerified email at ucla.edu
ali alavidirector, max planck institute for solid state research, stuttgart, and university of cambridgeVerified email at cam.ac.uk

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	68689	1996
From ultrasoft pseudopotentials to the projector augmented-wave method G Kresse, D Joubert Physical review b 59 (3), 1758, 1999	49921	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	43340	1996
Ab initio molecular dynamics for liquid metals G Kresse, J Hafner Physical Review B 47 (1), 558, 1993	31082	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	15611	1994
Ab initio molecular dynamics for open-shell transition metals G Kresse, J Hafner Physical Review B 48 (17), 13115, 1993	5670	1993
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements G Kresse, J Hafner Journal of Physics: Condensed Matter 6 (40), 8245, 1994	3982	1994
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), 154709, 2006	1953	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), 154709, 2006	1953	2006
Linear optical properties in the projector-augmented wave methodology M Gajdoš, K Hummer, G Kresse, J Furthmüller, F Bechstedt Physical Review B 73 (4), 045112, 2006	1939	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, 2014	1367	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 77 (24), 245202, 2008	1331	2008
Software VASP, vienna (1999) G Kresse, J Furthmüller Phys. Rev. B 54 (11), 169, 1996	1278	1996
Self-consistent calculations for semiconductors and insulators M Shishkin, G Kresse Physical Review B 75 (23), 235102, 2007	832	2007
Implementation and performance of the frequency-dependent method within the PAW framework M Shishkin, G Kresse Physical Review B 74 (3), 035101, 2006	799	2006
Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), 2016	756*	2016
14251; G. Kresse, J. Furthmüller G Kresse, J Hafner Phys. Rev. B 54, 11169, 1996	728	1996
Ab initio force constant approach to phonon dispersion relations of diamond and graphite G Kresse, J Furthmüller, J Hafner EPL (Europhysics Letters) 32 (9), 729, 1995	702	1995
Fully unconstrained noncollinear magnetism within the projector augmented-wave method D Hobbs, G Kresse, J Hafner Physical Review B 62 (17), 11556, 2000	692	2000
Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections M Shishkin, M Marsman, G Kresse Physical review letters 99 (24), 246403, 2007	663	2007

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