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Multi-scale theoretical chemistry investigation ... (No replies)

bchampag
5 years ago
bchampag 5 years ago

A one-year of post-doctoral positionis available at the University of Namur in the newly-establishedNamur Institute of Structured Matter and particularly theTheoretical Chemistry Lab (http://www.unamur.be/en/sci/chemistry/lct).

 

Details of the project.It aims at describing the nonlinear optical properties of chromophores in solutions by designing, optimizing, and applying efficient multi-scale theoretical chemistry methods.  Dynamical compounds, which, as a result of external triggering, can switch between two or more forms presenting contrasts of nonlinear optical properties are the target species [see e.g.Acc. Chem. Res. 46, 2656-2665 (2013)].  An important aspect of the work consists in accounting for the effects of the solvent and of the dynamical structural aspects, employing multi-scale QM/MM-like methods [seee.g.J. Phys. Chem. C 122, 26160-26168 (2018)].

 

Offer. The grant will be around 2500 € per month. The candidate must be in an “international scientific mobility situation” hence being able to benefit from a postdoctoral grant.  This grant will be exempted from taxes but subject to the employee social security.  To be in an "international mobility situation" the researcher should not have resided or carried out his/her main activity (job, studies...) in Belgium for more than 24 months during the 3 last years.  Moreover, the beginning of the hiring period should, at the latest, be exactly 6 years after obtaining the academic degree of doctor, after defense of a thesis.  The candidate will be working in the research group of Prof. Benoît CHAMPAGNE and use computational facilities provided by the HPC consortium of the Fédération Wallonie-Bruxelles (Consortium des Équipements de Calcul Intensif, called CÉCI) including those of the Scientific Computing Platform of our University. 

 

Requirements. Highly motivated candidates with i) a PhD in Theoretical/Quantum Chemistry or in related areas, ii) an expertise in scientific programming (fortran, C++, python, ...) in view of writing new codes and of modifying existing ones, iii) abilitiesto communicate (sufficient level in English combined with good pedagogical skills) and to work in a team, including theoreticians and experimentalists, while iv) an expertise in multi-scale methods is an asset.

 

How to apply. Interested candidates should send their curriculum vitae, list of publications, cover letter explaining why you feel being the right person for this position, and a list of contact references by e-mail (in a single PDF file) to Prof. Benoît CHAMPAGNE, [email protected]. Candidates are advised to apply as early as possible.  The selection process will start immediately. The contract shall begin in September-November 2019.




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Ab initio (from electronic structure) calculation of complex processes in materials