Andreas Grüneis

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Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsVerifierad e-postadress på univie.ac.at
Martijn MarsmanUniversity Vienna, Faculty of Physics and Center for Computational Materials ScienceVerifierad e-postadress på univie.ac.at
George BoothKing's College LondonVerifierad e-postadress på kcl.ac.uk
ali alaviMax Planck Institute for Solid State Research, Stuttgart, and University of CambridgeVerifierad e-postadress på cam.ac.uk
James J. ShepherdUniversity of IowaVerifierad e-postadress på uiowa.edu
Theodoros TsatsoulisNational Technical University of AthensVerifierad e-postadress på chemeng.ntua.gr
Alejandro GalloTechnical University of ViennaVerifierad e-postadress på tuwien.ac.at
Joachim PaierFriedrich-Alexander-Universität Erlangen-NürnbergVerifierad e-postadress på fau.de
Gustavo E. ScuseriaWelch Professor of Chemistry, Physics & Astronomy, and Materials Science & NanoEngineeringVerifierad e-postadress på rice.edu
Ke LiaoLudwig-Maximilians-Universität MünchenVerifierad e-postadress på physik.uni-muenchen.de
Angelos MichaelidesUniversity of CambridgeVerifierad e-postadress på cam.ac.uk
Dario AlfeProfessor of Physics at University College London and Universita' di Napoli Federico IIVerifierad e-postadress på ucl.ac.uk
Fumiyasu ObaLaboratory for Materials and Structures, Tokyo Institute of TechnologyVerifierad e-postadress på msl.titech.ac.jp
Andrea ZenUniversita' di Napoli Federico IIVerifierad e-postadress på unina.it
Tobias SchäferVienna University of TechnologyVerifierad e-postadress på tuwien.ac.at
Benjamin G. JaneskoTexas Christian UniversityVerifierad e-postadress på tcu.edu
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft and IRIS-Adlershof of HU BerlinVerifierad e-postadress på fhi-berlin.mpg.de
Jan Gerit BrandenburgHead of Digital Chemistry, Merck KGaAVerifierad e-postadress på merckgroup.com
Tomas BuckoComenius university in Bratislava, Slovak academy of sciencesVerifierad e-postadress på uniba.sk
Leslie M. SchoopPrinceton UniversityVerifierad e-postadress på princeton.edu

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Andreas Grüneis

Vienna University of Technology

Verifierad e-postadress på tuwien.ac.at - Startsida

Electronic Structure Theory


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
Accurate surface and adsorption energies from many-body perturbation theory L Schimka, J Harl, A Stroppa, A Grüneis, M Marsman, F Mittendorfer, ... Nature materials 9 (9), 741-744, 2010	598	2010
Towards an exact description of electronic wavefunctions in real solids GH Booth, A Grüneis, G Kresse, A Alavi Nature 493 (7432), 365-370, 2013	586	2013
Band alignment of semiconductors from density-functional theory and many-body perturbation theory Y Hinuma, A Grüneis, G Kresse, F Oba Physical Review B 90 (15), 155405, 2014	328	2014
Making the random phase approximation to electronic correlation accurate A Grüneis, M Marsman, J Harl, L Schimka, G Kresse The Journal of chemical physics 131 (15), 154115, 2009	293	2009
Second-order Møller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set M Marsman, A Grüneis, J Paier, G Kresse The Journal of chemical physics 130 (18), 184103, 2009	249	2009
Structural and electronic properties of lead chalcogenides from first principles K Hummer, A Grüneis, G Kresse Physical Review B 75 (19), 195211, 2007	243	2007
Ionization potentials of solids: The importance of vertex corrections A Grüneis, G Kresse, Y Hinuma, F Oba Physical Review Letters 112 (9), 096401, 2014	229	2014
Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties A Grüneis, M Marsman, G Kresse The Journal of chemical physics 133 (7), 074107, 2010	201	2010
Hybrid functionals including random phase approximation correlation and second-order screened exchange J Paier, BG Janesko, TM Henderson, GE Scuseria, A Grüneis, G Kresse The Journal of chemical physics 132 (9), 094103, 2010	182	2010
Assessment of correlation energies based on the random-phase approximation J Paier, X Ren, P Rinke, GE Scuseria, A Grüneis, G Kresse, M Scheffler New Journal of Physics 14 (4), 043002, 2012	174	2012
Van der Waals interactions between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase … F Göltl, A Grüneis, T Bučko, J Hafner The Journal of chemical physics 137 (11), 114111, 2012	156	2012
Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems JJ Shepherd, A Grüneis, GH Booth, G Kresse, A Alavi Physical Review B 86 (3), 035111, 2012	147	2012
Natural orbitals for wave function based correlated calculations using a plane wave basis set A Grüneis, GH Booth, M Marsman, J Spencer, A Alavi, G Kresse Journal of Chemical Theory and Computation 7 (9), 2780-2785, 2011	147	2011
Full configuration interaction perspective on the homogeneous electron gas JJ Shepherd, G Booth, A Grüneis, A Alavi Physical Review B 85 (8), 081103, 2012	143	2012
Applying the coupled-cluster ansatz to solids and surfaces in the thermodynamic limit T Gruber, K Liao, T Tsatsoulis, F Hummel, A Grüneis Physical Review X 8 (2), 021043, 2018	135	2018
Protecting a diamond quantum memory by charge state control M Pfender, N Aslam, P Simon, D Antonov, G Thiering, S Burk, ... Nano letters 17 (10), 5931-5937, 2017	116	2017
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods JG Brandenburg, A Zen, M Fitzner, B Ramberger, G Kresse, T Tsatsoulis, ... The journal of physical chemistry letters 10 (3), 358-368, 2019	114	2019
Coupled cluster theory in materials science IY Zhang, A Grüneis Frontiers in Materials 6, 123, 2019	113	2019
Many-Body Quantum Chemistry for the Electron Gas: Convergent Perturbative Theories JJ Shepherd, A Grüneis Physical Review Letters 110 (22), 226401, 2013	95	2013
Surface floating 2D bands in layered nonsymmorphic semimetals: ZrSiS and related compounds A Topp, R Queiroz, A Grüneis, L Müchler, AW Rost, A Varykhalov, ... Physical Review X 7 (4), 041073, 2017	86	2017

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