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PhD position (3 years from October 2024) in computational chemistry.

Thursday, 11 April, 2024

The CTOM group in Aix-Marseille Universite (iSm2 department) is searching for candidates for a PhD position (3 years from October 2024) in computational chemistry.

The research project is about the computational treatment of 4th period metal complexes in constrained molecular environments: by varying the nature of the ligands, we aim at understanding the influence of the molecular environment on the properties of the systems. Ab-initio calculations will be carried out to validate the TD-DFT methods used and to delve deeper into the nature of the excited states responsible of the absorption spectra of certain complexes with non-standard properties, such as copper azido or superoxido complexes. Depending on progress, the reactivity of these complexes will be investigated. 
This project is part of our team's recent studies on the analysis of the properties and reactivity of metal complexes, in interaction with our laboratory's experimentalists. It will enable the candidate to use and master a wide range of methods and manipulate several calculation programs (Gaussian, TURBOMOLE, Molpro, Orca, OpenMolcas, etc.).
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 2024.
Candidates should contact the supervisor or the co-supervisor before the end of April for an initial interview.
The final selection will be made in May.