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:

  1. Study of electron dynamics during a chemical reaction, tools dedicated to attochemical processes will be built-up
  2. Investigation in new directions in Quantum Chemistry and Development of new quantum mechanical interpretative techniques
  3. Development of different scale molecular dynamics methodologies (from ab initio to dedicated force fields)
  4. 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: 

  1. Post-modification by means of specific activations of complex molecules and surfaces
  2. Control of primary structure of polymer using specific stimuli
  3. 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:

  1. 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
  2. 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
  3. 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).