Isabelle BarailleFull Professor

  • Vice-Chair of the Research Committee
  • theoretical chemistry modelling simulation spectroscopy surface
  • IPREM UMR5254 UPPA/CNRS
    Technopôle Helioparc, 2 avenue P. Angot, 64053, Pau FRANCE
    • CNU 
  • Analytical, physical and theoretical chemistry Cluster
  • Mail address

Skills

  • Theoretical chemistry: methodological developments and original algorithms
  • Modelling and simulation of complex systems at the molecular level

Research interests

  • Development of original algorithms and methods for calculating vibrational spectra beyond the harmonic approximation
  • Molecular modelling of the physicochemical properties of complex chemical systems: chemical mapping through the integration of analytical sciences and theoretical chemistry
  • Chemical reactivity at interfaces: electrochemical energy storage

Publications