Two PhD and one Postdoc positions are available starting from January 1st 2016 in the about to be established Swiss National Science Foundation (SNF) Professorship group of Ulrich Aschauer at the Department of Chemistry and Biochemistry, University of Bern, Switzerland.

The planned research will use density functional theory (DFT) to understand, at a fundamental level, the surface and defect chemistry of complex oxides in view of their application in the renewable energy domain. Complex oxides have, due to their large chemical and structural flexibility, recently gained much interest for these applications. Compared to simpler oxides such as TiO2, the understanding of their surface structure and chemistry is however still limited. The theoretical work carried out in this project is closely integrated with photo-electrochemical and surface science experiments at various institutions and will determine general trends for the reactivity as a function of the crystal structure and chemistry.

Details PhD positions:

The two PhD candidates will work on establishing the surface structure and chemistry of complex perovskite oxides and layered Ruddlesden-Popper substructure types respectively. In doing so, they will learn to apply a combination of static relaxations, barrier determination and ab-initio molecular dynamics.

The candidates should hold a master's degree in chemistry, material science or a related field with a strong background in solid-state chemistry/physics. Prior experience with electronic structure methods is not a requirement but will be considered a plus.

PhD positions are for 3 years. Applications should include a CV, a short cover letter describing the candidate's motivation and how they qualify for the position. Please include contact details for at least two academic referees and send your documents to [email protected].

Details Postdoc position:

The postdoc candidate should have a PhD in Chemistry or Material Science and a solid working experience with electronic structure methods preferably in application to surfaces and/or point defects. The work will involve using different methods to treat occupational disorder in electronic structure calculations and to establish their appropriateness for complex oxides. Experience with the development of electronic structure codes for the integration of these methods is a plus for this position.

The Postdoc position is initially for one year and renewable for up to three years upon mutual agreement. Applications should include a CV, publication list, a cover letter describing the candidate's motivation and how she/he qualifies for the position. Please include contact details for at least three academic referees and send your documents to [email protected].