Job announcements relevant to people interested in electronic structure calculations…
Due to the large number of posts recently, there is currently a delay of several weeks between posts being submitted and the corresponding emails being distributed to all users. Please bear with us while we try to improve this. In the meantime – and until this notice is removed – it would assist us considerably if you could submit only important and/or urgent posts and thus help to reduce the size of the mail queue. Under no circumstances should you resend posts multiple times when you find the emails are not distributed immediately.
In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.
Post-doc position in material modeling (No replies)
Back to Job listings...
Ab initio modelling of doped maghemite
Subject:
In the framework of OPTYMAL (Operando and in-situ specTroscopies for renewable energy MateriaLs) ANR, we plan to combine different experimental spectroscopies with ab initio calculations in order to improve the molecular understanding of materials interfaces. Among materials of interest, one can mention iron oxides, well-known for solar energy conversion. During the OPTYMAL project, SPEC group from CEA Saclay will synthetize maghemite (ɣ-Fe2O3) either pure or Ni-doped by epitaxial growth on a platinum substrate. These samples will be analyzed by several spectroscopic techniques.
In consistency with these experiments, the aim of this post-doc will be to theoretically investigate the epitaxial growth of Ni-doped maghemite on platinum, by comparison with pure maghemite. After a first part dedicated to structural and electronical analysis of the materials, the influence of the environment, more particularly the presence of water will be considered.
Skills:
The candidate must have a good background in solid-state chemistry and quantum chemistry. A good knowledge of oxide modelling would be an advantage. Knowledge of VASP is required.
Application:
Interested candidates must send a CV, a list of publications and recommendation letters to:
Dr. Céline DUPONT [email protected] (+33) (0)3.80.39.61.57
Period: 12 months
Salary: based on experience
Location: Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB) in Dijon (FRANCE), in close collaboration with CEA (Saclay) and SOLEIL Synchrotron, in the framework of ANR OPTYMAL