Les axes de coeur de chimie fondamentale

Axe théorie

Frontiers in chemistry : new theoretical methods - Dr Olivier PARISEL

Different innovating theories will be developed from the angström/attosecond scale to the macroscopic scale in relationship with the experimental parts considered in the project:

  • Study of electron dynamics during a chemical reaction, tools dedicated to attochemical processes will be built-up
  • Investigation in new directions in Quantum Chemistry and Development of new quantum mechanical interpretative techniques
  • Development of different scale molecular dynamics methodologies (from ab initio to dedicated force fields)
  • At a larger scale, work will be dedicated to the development of approaches allowing the proper upscaling from atomic to nano—or mesoscopic—scales

 

Axe Synthèse

Frontiers in chemistry : new methods for synthesis - Prof Matthieu SOLLOGOUB

Multi-scale integrated approach to new nano-edifices through: 

  • Post-modification by means of specific activations of complex molecules and surfaces
  • Control of primary structure of polymer using specific stimuli
  • Control of dynamics, hierarchy and properties of supramolecular assemblies relying on designed interaction of tailor-made bricks.

 

Axe Instrumentation

Frontiers in Chemistry : Advanced instrumentation - Prof Jan Lüning

Novel experimental capabilities will be developed to advanced beyond today’s state-of-the-art in the characterization of structural and functional properties of matter ranging from atoms and molecules to complex nano-edifices. These development activities are motivated by the goals of the scientific themes. For example, we aim at developing novel instrumentation to improve our:

  • Understanding of materials for Non-CO2 and Hydrogen energy routes demands new instruments and procedures to perform in situ measurements in high water pressure atmospheres
  • New approaches in astrochemistry will be developed using high-resolution scanning microscopies (such as STM) to image the chemical reactions on ices at the extremely low coverage relevant in space
  • Studies involving Cultural Heritage artefacts require the development of portable instruments and non-invasive procedures (diversification of Raman Laser excitation sources, non invasive probes without sampling).