[Pw_forum] Postdoc in Bremen/Nancy

[dario rocca]

Dear Users and Developers,

We are looking for a postdoc that has some programming background and is
interested in doing method development within QE (see below).

Best,

Dario Rocca


Applications are invited for a three-year DFG-funded postdoctoral position
under the supervision of Dr. Balint 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.
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