Andreas Grüneis

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Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsEmail verificata su univie.ac.at
Martijn MarsmanUniversity Vienna, Faculty of Physics and Center for Computational Materials ScienceEmail verificata su univie.ac.at
George BoothKing's College LondonEmail verificata su kcl.ac.uk
ali alaviMax Planck Institute for Solid State Research, Stuttgart, and University of CambridgeEmail verificata su cam.ac.uk
James J. ShepherdMichigan State UniversityEmail verificata su msu.edu
Alejandro GalloTechnical University of ViennaEmail verificata su tuwien.ac.at
Theodoros TsatsoulisNational Technical University of AthensEmail verificata su chemeng.ntua.gr
Tobias SchäferVienna University of TechnologyEmail verificata su tuwien.ac.at
Joachim PaierHumboldt-Universität zu BerlinEmail verificata su chemie.hu-berlin.de
Angelos MichaelidesUniversity of CambridgeEmail verificata su cam.ac.uk
Gustavo E. ScuseriaWelch Professor of Chemistry, Physics & Astronomy, and Materials Science & NanoEngineeringEmail verificata su rice.edu
Andrea ZenUniversita' di Napoli Federico IIEmail verificata su unina.it
Ke LiaoMax Planck Institute for Solid State Research (formerly Caltech, LMU)Email verificata su fkf.mpg.de
Dario AlfeProfessor of Physics at University College London and Universita' di Napoli Federico IIEmail verificata su ucl.ac.uk
Fumiyasu ObaLaboratory for Materials and Structures, Tokyo Institute of TechnologyEmail verificata su msl.titech.ac.jp
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftEmail verificata su fhi-berlin.mpg.de
Jan Gerit BrandenburgHead of Digital Chemistry, Merck KGaAEmail verificata su merckgroup.com
Tomas BuckoComenius university in Bratislava, Slovak academy of sciencesEmail verificata su uniba.sk
Leslie M. SchoopPrinceton UniversityEmail verificata su princeton.edu
Patrick RinkeProfessor at Technical University Munich, GermanyEmail verificata su tum.de

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Andreas Grüneis

Vienna University of Technology

Email verificata su tuwien.ac.at - Home page

Electronic Structure Theory


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
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	633	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	605	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	364	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	309	2009
Ionization potentials of solids: The importance of vertex corrections A Grüneis, G Kresse, Y Hinuma, F Oba Physical Review Letters 112 (9), 096401, 2014	261	2014
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	256	2009
Structural and electronic properties of lead chalcogenides from first principles K Hummer, A Grüneis, G Kresse Physical Review B 75 (19), 195211, 2007	253	2007
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	206	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	187	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	183	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	160	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	159	2011
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	155	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	154	2018
Coupled cluster theory in materials science IY Zhang, A Grüneis Frontiers in Materials 6, 123, 2019	146	2019
Full configuration interaction perspective on the homogeneous electron gas JJ Shepherd, G Booth, A Grüneis, A Alavi Physical Review B 85 (8), 081103, 2012	145	2012
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	133	2019
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	129	2017
Many-Body Quantum Chemistry for the Electron Gas: Convergent Perturbative Theories JJ Shepherd, A Grüneis Physical Review Letters 110 (22), 226401, 2013	108	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	99	2017

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