Missions

The researcher will study the potential of atto-photochemistry on organic or inorganic photoinduced reactions. He or she will use quantum chemistry and molecular dynamics methods to do so. The overall objective is to propose an electronic wave packet that significantly increases the quantum yield of the photo-conversion reaction.

Activités

- simulation of the quantum dynamics of the photochemical reaction induced on the adiabatic electronic states separately.
- simulation of the quantum dynamics induced by a coherent superposition of the two states
- study of the influence of small substituents on potential electronic decoherence
- study of the influence of the initial composition of the electronic wave packet on the quantum yield of photo-conversion

Compétences

- The candidate must hold a PhD in theoretical chemistry or physics.
- expertise in quantum chemistry and ab initio molecular dynamics, quantum dynamics if possible
- be able to program and script in a language of his/her choice
- be autonomous
- be able to work in a team
- ability to communicate and promote research

Contexte de travail

The work will be carried out within the CEISAM laboratory hosted by Nantes University. The contract staff recruited will be integrated into the ModES 'Modelling and Spectroscopy' team and will work directly with Dr Morgane VACHER.

Contraintes et risques

The only risk is that associated with screen work (ergonomics).