Tuesday 28 June 2011

Microscopic Simulation of Solvation, at TUM, Munich, Germany

Develop an accurate method for the atomistic simulation of complexes
in solution we are looking for a physicist or chemist with a solid background
in theory as well as programming experience. The project relies on a 
statistical approach to the distribution of solvent molecules around the 
solute. This classical approach to the structure of a molecular solvent will 
be coupled with a quantum mechanical method for an accurate description of 
the solute. Parallel algorithms for an efficient implementation of the method
will be developed together with the Department of Computer Science 
(Scientific Computing) and a theory group at a leading university in the USA. 
Applications aim at case studies in catalysis and environmental chemistry. 
 
The International Graduate School of Science and Engineering at TUM supports
this international cooperative project with a generous scholarship.

For further information or submission of your detailed application 
please contact Prof. N. Roesch, Theoretical Chemistry and Catalysis Research Center, 
TU Muenchen, Garching, Germany, Email roesch@mytum.de

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