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PhD position in development of electronic-struct ... (No replies)

dgolze
3 years ago
dgolze 3 years ago

The PhD position is available in the junior research group of Dr. Dorothea Golze at Dresden University of Technology (TU Dresden, Germany) at the Chair of Theoretical Chemistry. The position is initially limited to 3 years with the option of extension.

Dorothea’s research group will launch in June 2021 as part of the Emmy-Noether program of the German Research Foundation. The goal of the group will be to develop highly accurate theoretical methods for core-level spectroscopy of complex materials. The project will focus on X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS), which are powerful tools for materials characterization.

In your position, you will develop fully-relativistic GW Green’s function methods for the prediction of core-level spectra. You will extend the existing infrastructure in the FHI-aims code by a full-relativistic description and apply your developed methodology to spin-orbit coupled core excitations. You will implement your method for massively parallel execution, taking also GPU acceleration into account. The development will proceed in collaboration with Prof. Volker Blum (FHI-aims coordinator, Duke University, USA). In later stages of your project, you will apply your methodology to novel 2D framework materials in collaboration with experimental and computational partners at TU Dresden, in particular with the group of Prof. Thomas Heine.

We are looking for a motivated candidate with university degree in physics, chemistry or material science (preferentially with theoretical background), who is interested in electronic-structure theory and code development. A strong motivation to learn programming for supercomputing platforms is required. Experience in programming are a plus, but not mandatory.

More information on the position and application guidelines can be found here. The application deadline is April 30th, 2021. Please send your complete application preferably as a single PDF document (CV, cover letter explaining your motivation to apply for this position and contact information of two references) via the TU Dresden SecureMail Portal https://securemail.tu-dresden.de to [email protected] with the subject “Application for open PhD position/GW”.




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Ab initio (from electronic structure) calculation of complex processes in materials