Prof. Dr. Notker Rösch

Professorship

Theoretical Chemistry

Department

Chemistry

Academic Career and Research Areas

Prof. Rösch’s research focused on the development and application of quantum chemistry methods to explain a wide range of chemical and physical questions. His work addressed complex systems, such as metal clusters, adsorbates on metal and oxide surfaces and in zeolite cavities, heterogeneous and homogeneous catalytic reaction systems and actinide complexation and sorption. In addition, he and his group developed the parallelized density functional program ParaGauss since 1994. That code uses relativistic density functional methods and embedding processes for systems on surfaces and in solution. 

After studying physics and mathematics, Prof. Rösch completed his doctorate in theoretical chemistry. A German Research Foundation (DFG) grant enabled him to work at MIT and Cornell University, USA. From 1980 till 2011 he served as professor at TUM’s chemistry department. He has acted as spokesman of the DFG’s Collaborative Research Center 338 “Adsorption at Solid Surfaces”. As visiting professor, he taught at universities in the USA, New Zealand, Thailand, the PR China, and several European countries. Until 2012, Prof. Rösch acted as Director of TUM’s Catalysis Research Center since its foundation in 2008.

In 2012 Prof. Rösch, as Principal Investigator at the A*STAR Institute of High Performance Computing, Singapore, founded the Catalysis Modelling Group there and directed it until 2018.

Awards

  • Heinz Maier-Leibnitz Medal of TUM (2012)
  • Fellow of the Royal Society of Chemistry (2009)
  • Dr. honoris causa, University of Sofia, Bulgaria (2005)

Chiu CC, Genest A, Borgna A, Rösch N: “Hydrodeoxygenation of Guaiacol over Ru (0001): A DFT Study” ACS Catal. 2014; 4: 4178-4188.

Abstract

Yudanov IV, Genest A, Schauermann S, Freund HJ, Rösch N: “Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value“ Nano Lett. 2012; 12: 2134-2139.

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Kremleva A, Krüger S, Rösch N: “Quantum chemical modeling of uranyl adsorption on mineral surfaces”. Radiochim. Acta. 2010; 98: 635-646.

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Neyman KM, Mohammad AB, Lim KH, Yudanov IV, Bron M, Claus P, Rösch N: “Mechanism of selective hydrogenation of α,β-unsaturated aldehydes on silver catalysts: A density functional study”. J. Phys. Chem. C 2009; 113(30): 13231-13240.

Abstract

Vayssilov GN, Gates BC, Rösch N: “Oxidation of supported rhodium clusters by support hydroxy groups”. Angew. Chem. Int. Ed. 2003; 42(12): 1391-1394.

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