A one-year postdoctoral position (funded by the NEXT LABEX, http://www.next-toulouse.fr) is available, starting immediately in the Theory group of « Laboratoire Collisions Agrégats Réactivité » (http://www.lcar.ups-tlse.fr), University Toulouse III Paul Sabatier, France.
The project will be supervised in collaboration with the "Modeling, Clusters, Dynamics" group of « Laboratoire de Chimie et Physique Quantiques » (http://www.lcpq.ups-tlse.fr).
The project aims at developing new approaches to electronically-excited state dynamics at surfaces and in particular full dimensional molecular dynamics using Density Functional Tight Binding (DFTB) theory, either with electronic friction or within a time-dependent scheme in order to account for excited molecules and/or surface excitation and dissipation. Two key applications are targeted:
- Surface and subsurface chemistry of atomic and molecular hydrogen with Ag and Au surfaces
- Quenching of electronically-excited NO on Ag and Au surfaces
and comparison will be sought with experiments performed by the "Dynamics at Surfaces" group of Alec Wodtke at the University of Göttingen.
The successful candidate will hold a PhD in physics or physical chemistry. Profound knowledge of theoretical physics or chemistry and experience in performing DFT/DFTB calculations and in (quantum) molecular dynamics for atom/molecule-surface interactions are expected. Programming skills including Fortran, within Linux environment and good ability to communicate in French or English are required.
Please send inquiries including a detailed CV with a list of publications, a brief summary of your Master's and PhD research projects and the names and emails of at least two academic referees, to both co-supervisors:
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Didier LEMOINE
Université Toulouse III Paul Sabatier
IRSAMC - LCAR
31062 Toulouse Cedex 9, France
Laboratoire Collisions Agrégats Réactivité, UMR CNRS 5589
Phone: +33 561 55 75 55
Fax: +33 561 55 83 17
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