Postdoctoral Research Assistant in Theoretical Chemistry

Applications are invited for a postdoctoral position in the field of theoretical chemistry applied to the computation of anharmonic vibrational properties of large molecular systems, starting at the beginning of 2010.

Over the past years, we developed a new methodology to accelerate computations of accurate vibrational spectra based on ab initio potential energy surfaces (PES). The accuracy of the method stems from the vibrational self-consistent field (VSCF) technique which provides a variational solution to the vibrational Schrodinger equation. This general scheme is very flexible since the basic VSCF solutions can be further refined by a perturbation scheme or a configuration interaction treatment. Our method makes use of the fact that most of the vibrational dynamics that define vibrational spectra are localised around a few dominant modes. By focusing on the dynamically relevant part of the PES and neglecting the unused parts our approach leads to significant speedup compared to usual VSCF techniques. (see for example D.M. Benoit, Journal of Chemical Physics 120 (2004) 562)

The work will involve the development of new hybrid theoretical and computational methods for describing the quantum vibrational dynamics of large molecular systems at the nanoscale. In particular, we are planning to extend our existing methodology to study anharmonic effects in biologically relevant molecules and nanostructures. The project is financed by a grant awarded by the German Research Foundation (DFG) and will be supervised by Dr David M. Benoit.

The successful candidate must have a PhD in theoretical chemistry or molecular physics and possess a good knowledge of vibrational calculations. He/she must have demonstrated an ability to develop new theories in chemistry and have the ability to implement theory in computer programs. Knowledge of German is not mandatory.

The project will be for a maximum of two years. The salary is set in accordance with the German public-service pay scale (E13 TV-L, approx. €20,000 – €23,000 P.A. after tax).

The University of Ulm aims to increase the representation of women in research and the teaching profession and would therefore expressly encourage qualified female scientists to apply.

All inquiries and applications (including a curriculum vitae and the names, telephone numbers and e-mail addresses of two academic referees) should be sent to:

Dr David M. Benoit

Research Group Leader in Computational Chemistry

Nachwuchsgruppe Theorie – SFB 569

Albert-Einstein-Allee 11

University of Ulm

89081 Ulm

Germany

Or by e-mail to postdoc[at]theory-sfb569.org

The closing date for applications is Wednesday, 23 December 2009.

The University is an equal opportunities employer and welcomes applications from all qualified individuals.

Employment is through the university’s central administration.