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PhD position on defect modelling at Max Planck I ... (No replies)
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Position is available since 2017 at the Department of Physical Chemistry at Max Planck Institute for Solid State Research in Stuttgart, Germany, to work on first principles computer modeling of defects and surfaces in perovskite materials. Applications are welcome for a 3-year contract that is supposed to result in a PhD from Stuttgart University.
More specifically, the intended work is related to a search of new computer-designed ABO3-type perovskite materials for protonic-electronic conductors to be used as cathodes in protonic ceramic fuel cells, in a close collaboration with experimental studies in Department. This needs large scale calculations of the charged defects (e.g. oxygen vacancies, protons and OH radicals) in a series of candidate perovskites, with a focus on effects of water interaction with defective solids. Calculations should be performed with the GGA+U or hybrid functionals. More information on the department research is available from our homepage http://www.fkf.mpg.de/maier
Candidates should have a proven track record in the responsible use of one or more DFT codes, preferentially VASP and CRYSTAL. There is no formal application document.
Applications as well as informal inquiries can be addressed to [email protected] or [email protected]
Dr Eugene Kotomin