Karsten Reuter

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Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftEmail verificata su fhi-berlin.mpg.de
Harald OberhoferProfessor of Theoretical Physics, University of BayreuthEmail verificata su uni-bayreuth.de
Johannes T MargrafProfessor of Physical Chemistry, University of BayreuthEmail verificata su fhi.mpg.de
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCEmail verificata su duke.edu
Mie AndersenAssociate professor, AIAS-COFUND FellowEmail verificata su aias.au.dk
Reinhard J. MaurerProfessor, Department of Chemistry & Department of Physics, University of WarwickEmail verificata su warwick.ac.uk
Joerg MeyerTheoretical Chemistry, Universiteit LeidenEmail verificata su chem.leidenuniv.nl
Jelena JelicKITEmail verificata su kit.edu
Jörg BehlerRuhr-Universität BochumEmail verificata su ruhr-uni-bochum.de
Jutta RogalNew York UniversityEmail verificata su nyu.edu
Nicolas G. HörmannGroup Leader, Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin)Email verificata su fhi-berlin.mpg.de
Catherine StampflProfessor of Physics, The University of SydneyEmail verificata su sydney.edu.au
Pedro L. de AndresCSICEmail verificata su csic.es
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCEmail verificata su uni.lu
Petra TegederProfessor for Physical Chemistry, Universität HeidelbergEmail verificata su uni-heidelberg.de
Hendrik H. HeenenFritz Haber Institute of the Max Planck SocietyEmail verificata su fhi.mpg.de
M. Veronica Ganduglia Pirovano (OR...Institute of Catalysis and Petrochemistry-CSIC (RoR: 004swtw80)Email verificata su icp.csic.es
Matteo MaestriLaboratory of Catalysis and Catalytic Processes - Politecnico di MilanoEmail verificata su polimi.it
Gabor CsanyiProfessor of Molecular Modelling, Engineering Laboratory, University of CambridgeEmail verificata su cam.ac.uk
Vanessa Jane BukasFritz Haber Institute of the Max Planck Society, BerlinEmail verificata su fhi.mpg.de

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Karsten Reuter

Director at Fritz-Haber-Institut der MPG

Email verificata su fhi-berlin.mpg.de - Home page

Multiscale Modeling Data Science Surface Science Catalysis Basic Energy Science


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
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	2975	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	2423	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	790	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	624	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	574	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	540	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	487	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	408	2017
Charge transport in molecular materials: An assessment of computational methods H Oberhofer, K Reuter, J Blumberger Chemical reviews 117 (15), 10319-10357, 2017	407	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	402	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	353	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	343	2005
First-principles-based multiscale modelling of heterogeneous catalysis A Bruix, JT Margraf, M Andersen, K Reuter Nature Catalysis 2 (8), 659-670, 2019	274	2019
A practical guide to surface kinetic Monte Carlo simulations M Andersen, C Panosetti, K Reuter Frontiers in chemistry 7, 202, 2019	273	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	266	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	265	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	263	2002
Thermodynamic stability of PdO surfaces J Rogal, K Reuter, M Scheffler Physical Review B 69 (7), 075421, 2004	259	2004

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