Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France


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Home > Teams > Theoretical and Computational Photochemistry (PTC)

Theoretical and Computational Photochemistry (PTC)


The PTC group gathers 6 members of staff and 3 Ph.D students around various aspects of theoretical and computational photochemistry. In spring 2017, the group is supervising two Master students.

Seated : Fabienne Alary, Gauthier Boissard (M2), Mickaël Véril (M1), Francesco Talotta (Ph. D. student) and Edvin. Standing : Isabelle Dixon, Martial Boggio-Pasqua, Marie-Catherine Heitz, Jean-Louis Heully, Léa Farouil (Ph. D. student), Adrien Soupart (Ph. D. student).

The LCPQ, particularly the GMO group, has always worked hard to increase the size and complexity of molecular systems studied with quantum chemical methods. Research undertaken in the PTC group perfectly fits in this framework by studying ever more complex systems. Another orientation of the scientific strategy of the LCPQ is to strengthen interactions with experimental scientists. For many years, theoreticians have got largely involved in methodological developments targetting the study of chemical reactivity. We are now starting to have efficient tools to describe biomolecules. Nevertheless, applying such methods to real systems is still marginal, possibly due to some apprehension towards the complexity of biochemical systems. Theory has long been limited to the a posteriori rationalization of experiments; we use it more and more as a predictive tool and it should nowadays be viewed as an essential partner of experiment.

The PTC group is interested in more and more complex systems displaying photophysical or photochemical properties, in very strong relationship with experimental chemists.