Karsten Reuter

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Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftAdresse e-mail validée de fhi-berlin.mpg.de
Harald OberhoferProfessor of Theoretical Physics, University of BayreuthAdresse e-mail validée de uni-bayreuth.de
Johannes T MargrafProfessor of Physical Chemistry, University of BayreuthAdresse e-mail validée de fhi.mpg.de
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCAdresse e-mail validée de duke.edu
Mie AndersenAssociate Professor, Aarhus UniversityAdresse e-mail validée de phys.au.dk
Reinhard J. MaurerProfessor, Department of Chemistry & Department of Physics, University of WarwickAdresse e-mail validée de warwick.ac.uk
Joerg MeyerTheoretical Chemistry, Universiteit LeidenAdresse e-mail validée de chem.leidenuniv.nl
Jelena JelicKITAdresse e-mail validée de kit.edu
Jörg BehlerRuhr-Universität BochumAdresse e-mail validée de ruhr-uni-bochum.de
Jutta RogalFlatiron InstituteAdresse e-mail validée de flatironinstitute.org
Nicolas G. HörmannGroup Leader, Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin)Adresse e-mail validée de fhi-berlin.mpg.de
Catherine StampflProfessor of Physics, The University of SydneyAdresse e-mail validée de sydney.edu.au
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCAdresse e-mail validée de uni.lu
Pedro L. de AndresCSICAdresse e-mail validée de csic.es
Petra TegederProfessor for Physical Chemistry, Universität HeidelbergAdresse e-mail validée de uni-heidelberg.de
Hendrik H. HeenenFritz Haber Institute of the Max Planck SocietyAdresse e-mail validée de fhi.mpg.de
Johannes LercherTU München, Pacific Northwest National LaboratoryAdresse e-mail validée de ch.tum.de
M. Veronica Ganduglia Pirovano (OR...Institute of Catalysis and Petrochemistry-CSIC (RoR: 004swtw80)Adresse e-mail validée de icp.csic.es
Matteo MaestriLaboratory of Catalysis and Catalytic Processes - Politecnico di MilanoAdresse e-mail validée de polimi.it
Vanessa Jane BukasFritz Haber Institute of the Max Planck Society, BerlinAdresse e-mail validée de fhi.mpg.de

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Karsten Reuter

Director at Fritz-Haber-Institut der MPG

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

Multiscale Modeling Machine Learning Surface Science Heterogeneous Catalysis Energy Conversion


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	3042	2009
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	2444	2001
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	803	2012
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	641	2016
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	588	2009
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	546	2003
First-Principles Atomistic Thermodynamics for Oxidation Catalysis:<? format?> Surface Phase Diagrams and Catalytically Interesting Regions K Reuter, M Scheffler Physical review letters 90 (4), 046103, 2003	513	2003
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	497	2015
Charge transport in molecular materials: An assessment of computational methods H Oberhofer, K Reuter, J Blumberger Chemical reviews 117 (15), 10319-10357, 2017	425	2017
Future Challenges in Heterogeneous Catalysis: Understanding Catalysts under Dynamic Reaction Conditions KF Kalz, R Kraehnert, M Dvoyashkin, R Dittmeyer, R Gläser, U Krewer, ... ChemCatChem 9 (1), 17-29, 2017	423	2017
First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at K Reuter, M Scheffler Physical Review B—Condensed Matter and Materials Physics 73 (4), 045433, 2006	406	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	355	2004
Dissociation of 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	347	2005
A practical guide to surface kinetic Monte Carlo simulations M Andersen, C Panosetti, K Reuter Frontiers in chemistry 7, 202, 2019	292	2019
First-principles-based multiscale modelling of heterogeneous catalysis A Bruix, JT Margraf, M Andersen, K Reuter Nature Catalysis 2 (8), 659-670, 2019	289	2019
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	271	2004
Structure and Energetics of Azobenzene on Ag (111):<? format?> Benchmarking Semiempirical Dispersion Correction Approaches G Mercurio, ER McNellis, I Martin, S Hagen, F Leyssner, S Soubatch, ... Physical review letters 104 (3), 036102, 2010	267	2010
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	266	2003
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	266	2002
Thermodynamic stability of PdO surfaces J Rogal, K Reuter, M Scheffler Physical Review B 69 (7), 075421, 2004	264	2004

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