Modelisation and spectroscopies

The interaction between experimental and theoretical aspects of chemistry is a highly stimulating experience for both experimental and theoretical investigators. Gathering spectroscopists together with theoretical chemists, our group promotes an effective cross-fertilisation, and thus, can relevantly interact with the UCCS groups as well as national and international partners.
Considering catalysis within complementary spatial and time perspectives expands one’s understanding of a catalytic active site and an elementary reaction step. Both the fast-growth of computing power as well as the improvement of available spectroscopic techniques help in investigating systems which are ever closer to the real life of catalysts. This makes the interaction between theoretical modelling, spectroscopy and catalytic testing particularly promising and relevant in the design of next generation active phases.

Jean-François Paul, Professor at Univ. Lille