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Date: Mon Apr 30 14:50:15 2018
Subject: 18.04.30 PhD position in Theoretical Chemistry, University of Erlangen, Germany

PhD position in Theoretical Chemistry, University of Erlangen, Germany

Applications are invited for a PhD student position in Theoretical Chemistry at the Universitaet Erlangen-Nuernberg (Dr. PD Andreas Hesselmann).

The present project is a part of the DFG priority program "Control of London dispersion interactions in molecular chemistry" (SPP 1807) and focuses on the description of the structures and properties of large molecules under the influence of a solvent environment. The goal of the project is to be able to understand the changes of the properties of molecules through, e.g., the change of the polarity of the solvent molecules on the basis of a decomposition of the energy into distinct interaction components. This shall be done by performing quantum chemical calculations using a molecular fragmentation method. Proper structures for these studies will have to be determined by sampling the molecule-solvent potential energy surface using classical molecular dynamics simulations.

For PhD applications, a diploma or master degree in chemistry or physics is required. The applicant should possess a basic knowledge in quantum chemistry methods (Hartree-Fock, perturbation theory, density functional theory). Also, a substantiated knowledge of programming skills (Fortran, C, C++, Julia or Python) is desired.

The anticipated starting date is between 1st of August and 30th of October 2018 and the duration of the project is scheduled for 3 years.

If you wish to apply for the position please email your resume/CV and a cover letter (in pdf format) stating your qualifications and research interests to: andreas.hesselmann*fau.de



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