Molecular simulations of the environment processes


The scientific activities of the "Molecular Simulations of Environmental Processes" research team focus on the study of degradation processes of volatile organic compounds and contaminants emitted into the atmosphere, and their transfer into the various environmental domains (air, water, soil).

The use of theoretical chemistry tools, combined with statistical thermodynamics and appropriate kinetic theories, enables a better understanding of the impact of these processes in the environment.

The team's expertise in this field stems not only from the skills it has developed, but also from its numerous international collaborations (Slovakia, Vietnam, USA, Canada) with both experimentalists and theoreticians.

Team members

Assistant/Associate Professors  : Valérie Fèvre-Nollet (MCF HDR), Florent Louis (MCF, HDR), Marc Ribaucour (MCF, HDR)

Chercheure invitée : Mosbahi H. (Tunisie)

Staff BIATSS-Lille : Sonia Taamalli (IR, CDD)

PhD students : Luna Cartayrade (U Lille/ CaPPA, 2026*), Hisham Al Rawas (2024*)

(* soutenance prévue)

PR : Professeur des Universités ; PREm : Professeur des Universités Emérite ; MCF : Maître.sse de Conférences ; HDR : Habilité.e à Diriger des Recherches ; IR : Ingénieur.e de Recherche ; IE : Ingénieur.e d'Etude ; AI : Assistant.e-Ingénieur ; T :

Means and Tools of calculation

  • Mésocentre de calculs de l'Université de Lille
  • Centre de calculs de l’Université Comenius de Bratislava (Slovaquie)

Contracts and partnerships

  • PIA Labex CaPPA "Chemical and Physical Properties of the Atmosphere" (ANR-11-LABX-0005-01)
  • CPER ECRIN "Environnement Climat – Recherche et Innovation"
  • Laboratoire PhLAM (Université de Lille)
  • Laboratoire d'étude des transferts de radioéléments (IRSN)
  • Pr. Ivan Cernusak, Comenius University in Bratislava (Slovaquie)
  • Pr. Theodore S. Dibble, State University of New York (USA)
  • Dr. Duy Quang Dao, Da Nang University (Vietnam)
  • Pr. Nadine Borduas-Dedekind, The University of British Columbia (Canada)
  • Pr. Roxana Suehring, Toronto Metropolitan University (Canada)
  • Pr. Xianming Zhang, Concordia University (Canada)