A PD (2-4 years) position in electronic-structure theory of molecule-surface interactions at Leiden University and the University of Clermont-Ferrand:
Quantum Monte-Carlo calculations on molecules interacting with metal surfaces.
A post-doc (2-4 years) position is available starting April 1st 2014, in the theoretical chemistry groups of Leiden University (NL) and the University of Clermont-Ferrand (Fr).
The research will focus on the accurate calculation of the interaction of a molecule with a metal surface, for a few selected systems. For a few systems, accurate reaction barrier heights are now available from comparisons of experiments with dynamics calculations using potential surfaces based on DFT using semi-empirical density functionals. The aim of the project is to determine how accurately the Quantum Monte-Carlo (QMC) can reproduce known reactive barrier heights, and whether the method can be used to turn the specific reaction parameter approach to DFT into a predictive tool. First results of exploratory QMC calculations are very encouraging and suggest the possibility of a breakthrough.
The project is funded by the ERC, under an ERC advanced grant for Geert-Jan Kroes. During the first two years the project will be co-supervised by Philip Hoggan (Clermont-Ferrand) and Geert-Jan Kroes (Leiden). The post-doc will perform research in Clermont-Ferrand during year 1 and in Leiden during year 2. The post-doc will be employed by Leiden University throughout the entire period of appointment.
Applicants for the post-doc position should have a Ph.D. in Chemistry, Physics, or Applied Mathematics. Experience with electronic structure calculations on molecules interacting with metal surfaces, or with Quantum Monte-Carlo calculations on systems of interest to chemistry or solid-state physics will be counted as very strong advantages. Experience with computer programming and with running calculations on parallel computers will likewise be counted as advantages. The position is open to all nationalities.
The appointment will be for an initial period of 1 year with extensions possible to 2 and 4 years, respectively, depending on the progress of the research. The envisaged starting date is 1 April 2014, with some flexibility towards later and earlier starts.
To be considered for the project, applicants should send an application letter, CV, and publication list, and should ensure themselves that three letters of recommendation are sent to Prof. Dr. Geert-Jan Kroes, by email ([email protected]). Selection of candidates will start on February 11, 201
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