UFR de Physique

Propositions de stages en laboratoire -- M2

Les offres sont actualisées en mai. Par exemple, les offres de stages pour l'année universitaire 2015-2016 seront mises en place en mai 2015, les offres de stages pour l'année universitaire 2016-2017 seront mises en place pour en mai 2016, etc.

Theoretical study of aerosol optical spectra

  • Option International « Atmospheric Environnement » du parcours Lumière-Matière
  • Laboratoire: Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM)
  • Responsable du stage: Denis DUFLOT (denis.duflot@univ-lille.fr, 0330434980)
  • Mots clés: electronic structure, molecular dynamics, aerosol, spectroscopy
  • Fiche complète en PDF : Fiche complète en PDF

Aerosols are a major component of the Earth atmosphere whose impact on climate change is not well known. Indeed, according to the last IPCC report, these particles could have a cooling effect which could counteract the observed global warming trend. The uncertainty margin is however quite large and a better knowledge of their physical and chemical properties is still lacking. One particular class of aerosols is called SOA (Secondary Organic Aerosol), originating from successive oxidations of organic matter of natural and/or anthropogenic origin. Due to their complexity, their detailed composition and properties remain largely unknown. The goal of the research training is to obtain UV spectra of Secondary Organic Aerosol using numerical simulations on High Performance Computers (HPC). One objective is to link the spectra to the composition of the SOA. Another goal is to obtain the real and imaginary parts of the refractive index which can be compared to macroscopic experimental values. To this end, two classes of methods will be employed: Molecular Mechanics (MM) methods, based on Newtonian mechanics, and Quantum Mechanics (QM) approaches, namely real time-dependent Density Functional Theory.