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PhD position: Development of molecular pseudopot ... (No replies)

paola.nava
8 years ago
paola.nava 8 years ago

A PhD position (3 years from October) is available in theoretical chemistry at the Aix-Marseille Universite (iSm2) -- France.

The research project is on 'Development of molecular pseudopotentials for the study of properties and chemical reactions in condensed phase.' This theoretical chemistry project aims to simplify the study of experiences made in rare-gas matrices for reproducing interstellar conditions. From a computational point of view, the description of the environment (i.e. the rare-gas matrix) is resource-consuming. Within the CTOM group, pseudopotentials have been already developed to treat the environment of chemical systems by reducing the computational cost. We propose to further develop those methods and to adapt them to reproduce effects of more complex chemical means, such as the gas-rare matrices. This project will imply some programming (Fortran and/or python).

Applicants should submit a cover letter, curriculum vitae, at least a letter of recommendation, the marks of the last year
and they should obtain a post graduate degree (Master 2) before October 2016. The deadline for submission is the 20th May 2016. Candidates should contact the supervisor or the co-supervisor before this date for a pre-interview.

http://ism2.univ-amu.fr/equipes/CTOM_1.htm

Department  : Institut des Sciences Moléculaires de Marseille
iSm2, UMR-CNRS-7313
Campus St. Jérôme, Service 561
13397 Marseille cedex 20 - France
Team: Chimie Théorique et Modélisation
Supervisor : Dr. Yannick Carissan
Co-supervisor  : Dr. Paola Nava
Contact : Yannick Carissan or Paola Nava
e-mail :[email protected]           [email protected]

 

sujet2_CTOM_en.pdf



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