to be filled. The position is limited to three years.
Our group develops quantum-chemical methods for complex chemical systems, in particular subsystem and embedding methods, and applies them to a variety of challenging problems. A detailed description of our research topics can be found under Research.
The research topic will depend on the profile and interests of the successful candidate. Possible topics include:
1) The development of subsystem methods for the quantum-chemical description of materials and interfaces. For this, density-based embedding methods [see WIREs Comput. Mol. Sci. 4, 325-362 (2014)] will be further developed. This includes the implementation of new approaches in the ADF program package (http://www.scm.com) and the PyADF scripting environment (http://www.pyadf.org).
2) The study of the fundamentals of density functional theory (DFT) for open-shell systems and the development of new density functional methods. In particular, the exact dependence of the exchange-correlation functional on spin density and spin state for model systems will be investigated [for further information, see Int. J. Quantum Chem. 112, 3661-3684 (2012)].
3) The development of new methods for the calculation of X-ray spectra. Here, the goal is to enable reliable quantum-chemical calculations of modern X-ray spectroscopic experiments (HERFD-XANES, RIXS, XES) for transition metal complexes.
Furthermore, participation in the teaching of the Institute of Physical and Theoretical Chemistry is expected.
completed studies in chemistry (M.Sc.) or related subjects
profound knowledge in theoretical chemistry
programming skills are desirable
Severely disabled persons are preferred in case of equal aptitude. Proof of disability must be enclosed. The TU Braunschweig strives in all areas and positions to reduce under-representation in the sense of the NGG. Therefore, applications from women are particularly welcome.