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Ab Initio Molecular Dynamics (AIMD) Simulations of catalytic alumina oxides/liquid water interfaces.

A 3-year PhD funded by the French ANR Agency is available in the group of Prof Marie-Pierre Gaigeot at the University of Evry-Paris on the general subject of DFT-MD simulations of Solid-Liquid Interfaces for Catalysis, characterizing the structure, chemical reactivity, acidity constants, and vibrational spectroscopy of catalytic interfaces. The project involves a consortium of theoreticians and experimentalists from Universities and IFP Energies nouvelles (IFPEN)-Lyon.

We are looking for a motivated student with competences in theoretical and computational chemistry (ab initio calculations and/or molecular dynamics simulations), with experience in either solid-state or liquid-state. 
In addition a strong background in chemistry, chemical-physics or physical-chemistry, is expected. Knowledge of one of these codes (CP2K, CPMD, VASP, CASTEP, SIESTA) would be welcome + knowledge of at least one programming language (fortran, C, or scripting languages). 

Candidates should submit a CV, a letter of motivation and the names and contact emails of 2 referees to [log in to unmask] Starting date planned: October 2014-January 2015. 

More details and references at http://mpgaigeot-research.fr (Jobs) where a flyer can be downloaded. 

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