[Wien] PhD position in Rennes (France)

[Rocquefelte]

Dear Colleagues,

Please find below an announcement for a PhD position in the field of 
theoretical chemistry / materials modelling in Rennes, France

As part of the recently launched Marie Curie Initial Training Network 
FUNEA (http://www.funea.tu-darmstadt.de), a 3-year Early Stage 
Researcher position is available at the Chemical Sciences Laboratory in 
Rennes, France, in the Inorganic Theoretical Chemistry group 
(http://scienceschimiques.univ-rennes1.fr/theo). The network includes 8 
academic and 5 industrial partners from across the European Union. The 
doctoral programme will provide a range of educational and research 
opportunities focused on nitrides materials.

Description: The relative paucity of well-characterised solid nitrides, 
compared to the large number of corresponding oxides, illustrates the 
much greater challenges in both synthesising and characterising new 
nitrides. Providing critical theoretical support for this research 
whilst also providing training in various fundamental and practical 
aspects of computational chemistry is then needed. The work will focus 
on the theoretical analysis of nitride materials using periodic density 
functional theory (DFT) calculations.  Specific attention will be 
devoted to transition metal nitrides and other compounds synthesised and 
characterised in this network, especially new lead-free piezoelectrics 
and materials for hydrogen storage.  Linear electronic band structure 
methods as well as advanced pseudopotentials methods will be used.

Candidates with a master degree in the field of theoretical chemistry, 
physical chemistry or solid-state physics are welcome. Good 
communication and organisational skills, and the ability to work 
independently and collaboratively should be demonstrated.

According to EU regulations, candidates can be of any nationality. They 
should have less than 4 years of research experience and should not have 
resided in France for more than 12 months during the past 3-year period. 
Female candidates are strongly encouraged to apply.

Starting date : Fall 2011

Contact: Jean-François Halet (halet at univ-rennes1.fr), Régis Gautier 
(rgautier at ensc-rennes.fr)

With Best Regards