Applications are invited for a three-year DFG-funded postdoctoral position under the supervision of Dr. Bálint Aradi and Prof. Peter Deak at the University of Bremen (Germany) and of Dr. Dario Rocca and Dr. Sébastien Lebègue at the University of Lorraine (Nancy, France). The position is available immediately.

The recruited postdoc will work on ab initio simulations of photocatalytic charge transfer processes on the TiO₂ surface. A crucial part of the project is the development of a general and self-consistent charge correction scheme for low dimensional periodic systems. This part of the project will be guided by the University of Lorraine where the applicant must spend the first 6 months of the project. The methodological development will have to be implemented into the plane-wave code Quantum Espresso. The postdoc will then move to the University of Bremen and, parallel with testing different stages of the development, will investigate the photocatalytic oxidation of CO and reduction of NO₂ on the anatase (101) surface, with special emphasis on electron- and hole-scavenging by O₂ and H₂O, respectively.

Candidates should have completed a PhD in physics, chemistry or materials science, and should have a background in the theory of electronic structure calculations. Since the project will involve an extensive part of method development, good programming skills are necessary. Experience with solid state calculations and plane-wave codes is necessary. The working language is English.

Interested candidates should send a copy of their CV (including a list of publications and references) to Peter Deak (email: deak at uni-bremen.de), and to Dr. Dario Rocca (email: dario.rocca at univ-lorraine.fr), simultaneously.