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 PaierHumboldt-Universität zu 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
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
alessandro stroppaNational Research Council (CNR) - SPIN instituteVerified email at spin.cnr.it
Ryosuke JinnouchiToyota Central R&D Labs., Inc.Verified email at mosk.tytlabs.co.jp
Anderson JanottiUniversity of DelawareVerified email at udel.edu
Anders mikkelsenProfessor, Department of Physics, Lund UniversityVerified email at sljus.lu.se
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
Menno BokdamUniversity of TwenteVerified email at utwente.nl
János G. ÁngyánCRM2 CNRS & Université de LorraineVerified email at univ-lorraine.fr
Carla VerdiUniversity of QueenslandVerified email at uq.edu.au
Gilles de WijsUD Radboud Universiteit, The NetherlandsVerified email at science.ru.nl

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	116755	1996
From ultrasoft pseudopotentials to the projector augmented-wave method G Kresse, D Joubert Physical review b 59 (3), 1758, 1999	81871	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	73020	1996
Ab initio molecular dynamics for liquid metals G Kresse, J Hafner Physical review B 47 (1), 558, 1993	47027	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	22813	1994
Furthmüller 1996 Phys G Kresse Rev. B 54 (1), 1169, 1996	9388	1996
Ab initio molecular dynamics for open-shell transition metals G Kresse, J Hafner Physical Review B 48 (17), 13115, 1993	8043	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	4918	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	3379	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	2824	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	2744	2006
Hafner, J1: CAS: 528: DyaK2cXkvFKrtL4% 3D: Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. vol. 49 G Kresse Phys Rev B, 14251-14269, 1994	1735	1994
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	1468	2008
Software VASP, vienna (1999) G Kresse, J Furthmüller Phys. Rev. B 54 (11), 169, 1996	1437	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	1427	2016
Self-consistent calculations for semiconductors and insulators M Shishkin, G Kresse Physical Review B—Condensed Matter and Materials Physics 75 (23), 235102, 2007	1117	2007
Ab initio molecular dynamics for liquid metals G Kresse Journal of Non-Crystalline Solids 192, 222-229, 1995	1089	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	1070	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	1056	2006
Fully unconstrained noncollinear magnetism within the projector augmented-wave method D Hobbs, G Kresse, J Hafner Physical Review B 62 (17), 11556, 2000	968	2000

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