PhD student position within the Laboratory for Computational Modeling of Functional Materials at the Namur Institute of Structured Matter

il y a 1 semaine


Namur, Wallonie, Belgique Université de Namur Temps plein

Responsabilities

The research project that the candidate is going to pursue will take place within a "Action de Recherche Concertée (ARC)"* project together with Prof. Ludovic Troian-Gauthier and Prof. Benjamin Elias from the Université Catholique de Louvain. The project itself will deal with the investigation of materials for photo-triggered processes such as clean fuels production, phototherapy, decontamination, and photocatalysis using a joint experimental-computational approach. To do, we will model every elementary electron transfer process taking place in the excited state of these molecules and leading to the formation of radical cation and anion species able to participate in chemical reactions, considering a combination of quantum chemical methods and molecular mechanics/dynamics methods.*Funder : Fédération Wallonie Bruxelles.

Profile

We are looking for a skillful and highly motivated PhD student who has some expertise in computational chemistry/physics.The candidate is expected to:


• have an expertise in either [or both] electronic structure calculations (Time-Dependent Density Functional Theory, wavefunction-based methods...) or [and] molecular dynamics simulations.


• be autonomous.


• be a dynamic and enthusiastic team player.


• be highly motivated by conducting a collaborative research project with experimentalists.


• have good communications skills in English (reading, writing and speaking).


• to be able to present clearly his research results.


• be familiar with Linux operating system.


• to have an experience with programming languages (C, Fortran, Python, Perl, bash,...).



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