Prof. Dr. Karsten Reuter

Prof. Dr. Karsten Reuter is a former junior scientist in Prof. Scheffler's research group at FHI. Dr. Reuter accepted an appointment to a professorship at Technische Universität München starting in October 2009.

Research interests

First principles statistical mechanics and kinetic Monte Carlo, density functional theory DFT, heterogeneous catalysis, oxygen-metal interaction and oxide formation, molecular network at surfaces, dispersive interaction in bilayer graphene

Research Fields in UniCat

2007-2010: A1, A2

Selection of research projects

  • Heterogeneous catalysis
  • Oxygen-metal interaction and oxide formation
  • Molecular network at surfaces
  • Dispersive interaction in bilayer graphene
  • Configurational sampling of atomic clusters
  • Epitaxial growth of ferroelectric oxide layers

UniCat publications

2226 Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces S. Bhattacharya, D. Berger, K. Reuter, L. M. Ghiringhelli, S. V. Levchenko Physical Review Materials 2017, 1, 10.1103/PhysRevMaterials.1.071601

405 Transport Limitations and Bistability for In Situ CO Oxidation at RuO2(110): First-Principles Based Multi-Scale Modeling S. Matera, K. Reuter Physical Review B 2010, 82, 85446–85446, 10.1103/PhysRevB.82.085446

256 Robustness of 'cut and splice' genetic algorithms in the structural optimization of atomic clusters V. A. Froltsov, K. Reuter Chemical Physics Letters 2009, 473, 363–366, 10.1016/j.cplett.2009.04.015

255 First-Principles Approach to Heat and Mass Transfer Effects in Model Catalyst Studies K. Reuter, S. Matera Catalysis Letters 2009, 133, 156–159, 10.1007/s10562-009-0168-8

173 Nature of Ar bonding to small Con+ clusters and its effect on the structure determination by far-infrared absorption spectroscopy R. Gehrke, P. Gruene, A. Fielicke, G. Meijer, K. Reuter The Journal of Chemical Physics 2009, 130, 34306– 10.1063/1.3058637

1 Assessing the Efficiency of First-Principles Basin-Hopping Sampling R. Gehrke, K. Reuter Physical Review B 2009, 79, 85412–85412, 10.1103/PhysRevB.79.085412

Dr. Karsten Reuter

Karsten Reuter
Former address:
Fritz-Haber-Institut der Max-Planck Gesellschaft
Faradayweg 4-6
Theory Department