Modelling spin effects in organic photovoltaics

We are looking for a PhD student with expertise in molecular modelling in the context of a 11-partner Marie-Curie ETN network project, SEPOMO. The main scientific objectives of the project are to understand and tune the spin dependent mechanisms involved in light harvesting within organic semiconductors (OSC) as a pathway to improve the efficiency of charge generation and reduce recombination, and to enhance the performance and lifetime of these devices.


The theoretical group in Mons will supervise a work package dedicated to the exploitation of spin processes for improving the solar cell performance via reducing geminate and nongeminate losses of the spin-dependent interfacial charge-transfer states and utilizing triplet migration, singlet fission and triplet–triplet annihilation as pathways to increase the light harvesting in OSCs. To this end, the PhD student will use a combined multiscale modeling approach encompassing force-field molecular dynamics simulations, quantum-chemical calculations and the solving of model Hamiltonians, in close relation to experimental investigations performed by partners in the consortium.

Nr of positions available : 1

Research Fields

Chemistry – Computational chemistry

Career Stage

Early stage researcher or 0-4 yrs (Post graduate)

Research Profiles

First Stage Researcher (R1)


Marie-Curie Network project

Contact Info

E-mail :

David Beljonne, FNRS Research Director

Chimie des Matériaux Nouveaux & Centre d’Innovation et de Recherche en Matériaux Polymères

Université de Mons – UMONS / Materia Nova

Place du Parc, 20, B-7000 MONS (Belgium)

Tel: + 32 (0) 65 373872

Fax: + 32 (0) 65 373861

Web page: