Research profile Heßelmann (Image: Heßelmann)

Image: Heßelmann

Determination of intramolecular interactions with quantum chemistry methods

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

The present project is a part of the new DFG priority program “Control of London dispersion interactions in molecular chemistry” (SPP 1807) and focuses on the quantification of interaction energy contributions of interactions between intramolecular fragments. This shall be achieved by a combination of perturbation theory techniques with density functional theory methods. The aim is on the one hand to yield insights in the stabilization of large molecules which exploit intramolecular interactions to form defined macromolecular structures and on the other hand to support the design of novel molecular structures for use in the field of, e.g., supramolecular chemistry. For the latter a cooperation with other (experimental) groups of the SPP 1807 is intended.

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++ or Python) is desired.

The university promotes gender equality and aims at increasing the fraction of women in science. Therefore female scientists are invited to apply. Handicapped persons are preferred if equally qualified. Please send your CV / list of publication / references / summary of research activities to: