A postdoctoral position is available in the group led by Professor Guillaume Maurin (https://scholar.google.fr/citations?hl=fr&user=QNfwyjgAAAAJ&view_op=list_works&sortby=pubdate) at the University of Montpellier.

The H2020 EU collaborative METHASOL project brings together state-of-the-art predictive computational chemistry methods, Metal Organic Framework (MOF) materials synthesis and characterizationn an catalytic testing through a collaboration between research groups at various EU universities. 

The role of the postdoc on this challenging and topical project will focus on the development and application of Time-Dependent DFT to gain in-depth understanding of the electronic properties of the MOFs and the microscopic mechanisms at their origin of their outstanding photocatalytic performance for CO2 conversion. From this unprecedented understanding, we will aim to establish structure-activity relationships to guide the experimentalist towards MOFs with even better performance.

The candidate should have experience with time-dependent DFT and ab initio molecular dynamics. Experience in the application of these first-principle methods to material science is welcome. (Optional) Programming skills and knowledge on Machine Learning are appreciated.

Position is available for 1 year and 1 year extension.Starting date is flexible.

Interested candidates should contact Prof. Guillaume Maurin by email ([email protected]).