Karsten Reuter

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Coauteurs

Matthias SchefflerDirector at Fritz-Haber-Institut der Max-Planck-GesellschaftAdresse e-mail validée de fhi-berlin.mpg.de
Harald OberhoferTU Munich, Theoretical ChemistryAdresse e-mail validée de tum.de
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCAdresse e-mail validée de duke.edu
Joerg MeyerTheoretical Chemistry, Universiteit LeidenAdresse e-mail validée de chem.leidenuniv.nl
Reinhard J. MaurerAssociate Professor, Department of Chemistry, University of WarwickAdresse e-mail validée de warwick.ac.uk
Jörg BehlerGeorg-August-Universität GöttingenAdresse e-mail validée de uni-goettingen.de
Jutta RogalNew York UniversityAdresse e-mail validée de nyu.edu
Mie AndersenPostdoc, Technische Universität MünchenAdresse e-mail validée de ch.tum.de
Catherine StampflProfessor of Physics, The University of SydneyAdresse e-mail validée de sydney.edu.au
Pedro L. de AndresCSICAdresse e-mail validée de csic.es
Petra TegederProfessor for Physical Chemistry, Universität HeidelbergAdresse e-mail validée de uni-heidelberg.de
M. Veronica Ganduglia PirovanoInstitute of Catalysis and Petrochemistry-CSICAdresse e-mail validée de icp.csic.es
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, Berlin Big Data CenterAdresse e-mail validée de uni.lu
Francisco J. Garcia-VidalCondensed Matter Physics Center (IFIMAC). Universidad Autonoma de Madrid, Madrid (Spain)Adresse e-mail validée de uam.es
Johannes T MargrafGroup Leader at Fritz-Haber-Institut der MPGAdresse e-mail validée de fhi.mpg.de
Craig PlaisanceChemical Engineering, Louisiana State UniversityAdresse e-mail validée de lsu.edu
Frank Stefan TautzDirector Quantum Nanoscience, Peter Grünberg Institut, Forschungszentrum JülichAdresse e-mail validée de fz-juelich.de
Fernando FloresProfesor de FísicaAdresse e-mail validée de uam.es
Matteo MaestriLaboratory of Catalysis and Catalytic Processes - Politecnico di MilanoAdresse e-mail validée de polimi.it
Xinguo RenInstitute of Physics, Chinese Academy of SciencesAdresse e-mail validée de ustc.edu.cn

Karsten Reuter

Director at Fritz-Haber-Institut der MPG

Adresse e-mail validée de fhi-berlin.mpg.de - Page d'accueil

Multiscale Modeling Data Science Surface Science Catalysis Basic Energy Science


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Composition, structure, and stability of RuO 2 (110) as a function of oxygen pressure K Reuter, M Scheffler Physical Review B 65 (3), 035406, 2001	1809	2001
Ab initio molecular simulations with numeric atom-centered orbitals V Blum, R Gehrke, F Hanke, P Havu, V Havu, X Ren, K Reuter, ... Computer Physics Communications 180 (11), 2175-2196, 2009	1742	2009
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions X Ren, P Rinke, V Blum, J Wieferink, A Tkatchenko, A Sanfilippo, K Reuter, ... New Journal of Physics 14 (5), 053020, 2012	452	2012
Composition and structure of the surface in an and CO environment: Implications for the catalytic formation of K Reuter, M Scheffler Physical Review B 68 (4), 045407, 2003	430	2003
Azobenzene at Coinage Metal Surfaces: The Role of Dispersive van der Waals Interactions E McNellis, J Meyer, K Reuter Physical Review B 80, 205414, 2009	414	2009
First-principles atomistic thermodynamics for oxidation catalysis: surface phase diagrams and catalytically interesting regions K Reuter, M Scheffler Physical review letters 90 (4), 046103, 2003	384	2003
Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016	331	2016
First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at Ru O 2 (110) K Reuter, M Scheffler Physical Review B 73 (4), 045433, 2006	329	2006
The steady state of heterogeneous catalysis, studied by first-principles statistical mechanics K Reuter, D Frenkel, M Scheffler Physical review letters 93 (11), 116105, 2004	303	2004
Interfacial challenges in solid-state Li ion batteries AC Luntz, J Voss, K Reuter The journal of physical chemistry letters 6 (22), 4599-4604, 2015	292	2015
Dissociation of O 2 at Al (111): The role of spin selection rules J Behler, B Delley, S Lorenz, K Reuter, M Scheffler Physical review letters 94 (3), 036104, 2005	269	2005
Kinetic hindrance during the initial oxidation of Pd (100) at ambient pressures E Lundgren, J Gustafson, A Mikkelsen, JN Andersen, A Stierle, H Dosch, ... Physical review letters 92 (4), 046101, 2004	246	2004
Structure and energetics of azobenzene on Ag (111): benchmarking semiempirical dispersion correction approaches G Mercurio, ER McNellis, I Martin, S Hagen, F Leyssner, S Soubatch, ... Physical review letters 104 (3), 036102, 2010	242	2010
Catalysis and corrosion: the theoretical surface-science context C Stampfl, MV Ganduglia-Pirovano, K Reuter, M Scheffler Surface Science 500 (1-3), 368-394, 2002	231	2002
The Pd (100)–(5× 5) R27°-O surface oxide revisited M Todorova, E Lundgren, V Blum, A Mikkelsen, S Gray, J Gustafson, ... Surface science 541 (1-3), 101-112, 2003	228	2003
Novel reconstruction mechanism for dangling-bond minimization: Combined method surface structure determination of SiC (111)-(3× 3) U Starke, J Schardt, J Bernhardt, M Franke, K Reuter, H Wedler, K Heinz, ... Physical review letters 80 (4), 758, 1998	208	1998
Charge transport in molecular materials: An assessment of computational methods H Oberhofer, K Reuter, J Blumberger Chemical reviews 117 (15), 10319-10357, 2017	202	2017
Thermodynamic stability of PdO surfaces J Rogal, K Reuter, M Scheffler Physical Review B 69 (7), 075421, 2004	189	2004
Surface core-level shifts of clean and oxygen-covered Ru (0001) S Lizzit, A Baraldi, A Groso, K Reuter, MV Ganduglia-Pirovano, C Stampfl, ... Physical Review B 63 (20), 205419, 2001	186	2001
Role of subsurface oxygen in oxide formation at transition metal surfaces M Todorova, WX Li, MV Ganduglia-Pirovano, C Stampfl, K Reuter, ... Physical review letters 89 (9), 096103, 2002	183	2002

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