TU BRAUNSCHWEIG

Ph.D. positions in Theoretical Chemistry


In the research group theoretical chemistry (Prof. Christoph Jacob) at the Institute of Physical and Theoretical Chemistry at TU Braunschweig positions as


research assistent / Ph.D student (f/m), 50% TV-L E13


are available, subject to availability of funding. The positions are for a fixed term of three years.

Our research group develops quantum chemical methods for complex chemical systems, in particular subsystem and embedding methods, and uses these methods in numerous different application areas, ranging from theoretical spectroscopy to material science. A comprehensive summary can be found at https://www.tu-braunschweig.de/pci/research/theorie/research.

The research topic is dependent on the background and interests of the successful applicant(s). Possible topics include:

1) The development of subsystem methods for the quantum-chemical description of materials and interfaces. To this end, density-based embedding methods [see WIREs Comput. Mol. Sci. 4, 325-362 (2014)] will be extended. This includes the implementation of new methods in the quantum-chemical program package ADF (http://www.scm.com) and the scripting framework PyADF (http://www.pyadf.org).

2) The investigation of the foundations of density-functional theory (DFT) for open-shell molecules and the development of new density-functional methods. In particular, the exact dependence of the exchange-correlation functional on the spin state and the spin density will be investigated for model systems [for more background, see Int. J. Quantum Chem. 112, 3661-3684 (2012)].

3) The development of new methods for the calculation of X-ray spectra. Here, we aim for methods that make it possible to calculate spectra that can be measured in modern X-ray spectroscopic experiments (HERFD-XANES, RIXS, XES) for transition metal complexes.

Furthermore, involvement in the teaching activities of the Institute of Physical and Theoretical Chemistry will be expected.

Requirements are:

  • University degree (M.Sc.) in Chemistry or a related subject
  • Solid education in quantum chemistry
  • Basic programming skills are desirable

The TU Braunschweig intends to reduce the under-representation within the meaning of NGG in all areas and positions. Thus applications of female candidates are particularly requested. At the same qualification disabled persons will be preferred. An official proof has to be added.

Please send your application by e-mail to Prof. Christoph Jacob (E-Mail:c.jacob@tu-braunschweig.de)


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