Karsten Reuter

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Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftPotvrđena adresa e-pošte na fhi-berlin.mpg.de
Harald OberhoferProfessor of Theoretical Physics, University of BayreuthPotvrđena adresa e-pošte na uni-bayreuth.de
Johannes T MargrafProfessor of Physical Chemistry, University of BayreuthPotvrđena adresa e-pošte na fhi.mpg.de
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCPotvrđena adresa e-pošte na duke.edu
Mie AndersenAssociate Professor, Aarhus UniversityPotvrđena adresa e-pošte na phys.au.dk
Joerg MeyerTheoretical Chemistry, Universiteit LeidenPotvrđena adresa e-pošte na chem.leidenuniv.nl
Reinhard J. MaurerProfessor, Department of Chemistry & Department of Physics, University of WarwickPotvrđena adresa e-pošte na warwick.ac.uk
Jelena JelicKITPotvrđena adresa e-pošte na kit.edu
Jörg BehlerRuhr-Universität BochumPotvrđena adresa e-pošte na ruhr-uni-bochum.de
Jutta RogalFlatiron InstitutePotvrđena adresa e-pošte na flatironinstitute.org
Nicolas G. HörmannGroup Leader, Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin)Potvrđena adresa e-pošte na fhi-berlin.mpg.de
Petra TegederProfessor for Physical Chemistry, Universität HeidelbergPotvrđena adresa e-pošte na uni-heidelberg.de
Catherine StampflProfessor of Physics, The University of SydneyPotvrđena adresa e-pošte na sydney.edu.au
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCPotvrđena adresa e-pošte na uni.lu
Pedro L. de AndresCSICPotvrđena adresa e-pošte na csic.es
Hendrik H. HeenenFritz Haber Institute of the Max Planck SocietyPotvrđena adresa e-pošte na fhi.mpg.de
Johannes LercherTU München, Pacific Northwest National LaboratoryPotvrđena adresa e-pošte na ch.tum.de
M. Veronica Ganduglia Pirovano (OR...Institute of Catalysis and Petrochemistry-CSIC (RoR: 004swtw80)Potvrđena adresa e-pošte na icp.csic.es
Matteo MaestriLaboratory of Catalysis and Catalytic Processes - Politecnico di MilanoPotvrđena adresa e-pošte na polimi.it
Vanessa Jane BukasFritz Haber Institute of the Max Planck Society, BerlinPotvrđena adresa e-pošte na fhi.mpg.de

Prati

Karsten Reuter

Director at Fritz-Haber-Institut der MPG

Potvrđena adresa e-pošte na fhi-berlin.mpg.de - Početna stranica

Multiscale Modeling Machine Learning Surface Science Heterogeneous Catalysis Energy Conversion


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
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	3045	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	2441	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	642	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	511	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	431	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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