个人简介

Habilitation Theoretical Physics, Freie Universität Berlin, Germany, 2005 Ph.D. Theoretical Physics, Universität Erlangen-Nürnberg, Germany / Universidad Autónoma de Madrid, Spain, 1998 Diplom Physics, Universität Erlangen-Nürnberg, Germany, 1995

研究领域

Physical and Theoretical Chemistry

Prof. Reuter’s (b. 1970) research activities are mainly focused on quantitative modeling of material properties and functionalities. Heterogeneous catalysis is a particular area of interest. He makes widespread use of modern multiscale modeling, which unites methods and concepts from the disciplines of physics and chemistry as well as materials science and engineering.

近期论文

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Elucidating Lewis Acidity of Metal Sites in MFU-4l Metal-Organic Frameworks: N2O and CO2 Adsorption in MFU-4l, CuI-MFU-4l and Li-MFU-4l D. Denysenko, J. Jelic, O.V. Magdysyuk, K. Reuter, and D. Volkmer, Micropor. Mesopor. Mat. (accepted). Postsynthetic Metal and Ligand Exchange in MFU-4l: Combinatorial Approach toward Functional Metal-Organic Frameworks Comprising Single-Site Active Centers D. Denysenko, J. Jelic, K. Reuter, and D. Volkmer, Chem. Eur. J. (accepted). Multi-Lattice Kinetic Monte Carlo Simulations from First-Principles: Reduction of the Pd(100) Surface Oxide by CO M.J. Hoffmann, M. Scheffler, and K. Reuter, ACS Catal. 5, 1199 (2015). Ab Initio Prediction of the Equilibrium Shape of Supported Ag Nanoparticles on alpha-Al2O3 (0001) M. Garcia-Mota, M. Rieger, and K. Reuter, J. Catal. 321, 1 (2015). Evaluating Different Classes of Porous Materials for Carbon Capture J.M. Huck, L.-C. Lin, A.H. Berger, M.N. Shahrak, R.L. Martin, A.S. Bhown, M. Haranczyk, K. Reuter, and B. Smit, Eng. & Environm. Sci. 7, 4132 (2014). Efficient Calculation of Microscopic Dissolution Rate Constants: The Aspirin-Water Interface J. Schneider and K. Reuter, J. Phys. Chem. Lett. 5, 3859 (2014). Predictive-Quality Surface Reaction Chemistry in Real Reactor Models: Integrating First- Principles Kinetic Monte Carlo Simulations into Computational Fluid Dynamics S. Matera, M. Maestri, A. Cuoci, and K. Reuter, ACS Catal. 4, 4081 (2014). Quantitative Determination of a Nano Object's Atom Density Without Atomic Resolution C. Zaum, J. Meyer, K. Reuter, and K. Morgenstern, Phys. Rev. B 90 , 165418 (2014).