Karsten Reuter

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Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftVerificeret mail på fhi-berlin.mpg.de
Harald OberhoferProfessor of Theoretical Physics, University of BayreuthVerificeret mail på uni-bayreuth.de
Johannes T MargrafProfessor of Physical Chemistry, University of BayreuthVerificeret mail på fhi.mpg.de
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCVerificeret mail på duke.edu
Mie AndersenAssociate Professor, Aarhus UniversityVerificeret mail på phys.au.dk
Joerg MeyerTheoretical Chemistry, Universiteit LeidenVerificeret mail på chem.leidenuniv.nl
Reinhard J. MaurerProfessor, Department of Chemistry & Department of Physics, University of WarwickVerificeret mail på warwick.ac.uk
Jelena JelicKITVerificeret mail på kit.edu
Jörg BehlerRuhr-Universität BochumVerificeret mail på ruhr-uni-bochum.de
Jutta RogalFlatiron InstituteVerificeret mail på flatironinstitute.org
Nicolas G. HörmannGroup Leader, Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin)Verificeret mail på fhi-berlin.mpg.de
Petra TegederProfessor for Physical Chemistry, Universität HeidelbergVerificeret mail på uni-heidelberg.de
Catherine StampflProfessor of Physics, The University of SydneyVerificeret mail på sydney.edu.au
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCVerificeret mail på uni.lu
Pedro L. de AndresCSICVerificeret mail på csic.es
Hendrik H. HeenenFritz Haber Institute of the Max Planck SocietyVerificeret mail på fhi.mpg.de
Johannes LercherTU München, Pacific Northwest National LaboratoryVerificeret mail på ch.tum.de
M. Veronica Ganduglia Pirovano (OR...Institute of Catalysis and Petrochemistry-CSIC (RoR: 004swtw80)Verificeret mail på icp.csic.es
Matteo MaestriLaboratory of Catalysis and Catalytic Processes - Politecnico di MilanoVerificeret mail på polimi.it
Vanessa Jane BukasFritz Haber Institute of the Max Planck Society, BerlinVerificeret mail på fhi.mpg.de

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Karsten Reuter

Director at Fritz-Haber-Institut der MPG

Verificeret mail på fhi-berlin.mpg.de - Startside

Multiscale Modeling Machine Learning Surface Science Heterogeneous Catalysis Energy Conversion


Titel Sortér efter henvisninger Sortér efter årstal Sortér efter titel	Citeret af Citeret af	År
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	3044	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	2440	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	804	2012
Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Structural Science 72 (4), 439-459, 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	589	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	510	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	504	2015
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	430	2017
Charge transport in molecular materials: An assessment of computational methods H Oberhofer, K Reuter, J Blumberger Chemical reviews 117 (15), 10319-10357, 2017	429	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	358	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	349	2005
A practical guide to surface kinetic Monte Carlo simulations M Andersen, C Panosetti, K Reuter Frontiers in chemistry 7, 202, 2019	290	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	273	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	270	2010
Thermodynamic stability of PdO surfaces J Rogal, K Reuter, M Scheffler Physical Review B 69 (7), 075421, 2004	266	2004
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
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	265	2003

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