Cover article in PCCP
Perspective-review article "Charge separation energetics at organic heterojunctions: on the role of structural and electrostatic disorder"
PCCP 2014, 16, 20279.

Internships offers


Dr. Frédéric Castet

University of Bordeaux


Professional address

Institut des Sciences Moléculaires
Université Bordeaux I
351 cours de la Liberation
F-33405 Talence, France
Tel : +33 5 4000 38 63
Fax : +33 5 4000 66 45

Short bio

I completed a Ph.D. in Theoretical Chemistry in 1999 at the University Bordeaux I, the subject of which was the elaboration of a correlated fragment orbital method to describe charge transfer in organic superconductors. Before joining the Laboratoire de Physico-Chimie Moléculaire (LPCM), now reorganized in the Institut des Sciences Moléculaires (ISM, UMR 5255), I accomplished a post-doctoral stay at the University of Namur (Belgium), where I worked in collaboration with B. Champagne on the evaluation of second order optical susceptibilities of molecular assemblies and crystals. In 2000, I was recruited as Maître de Conférences (associate professor) in the chemistry department of the University Bordeaux I. I obtained the accreditation to supervise researches in 2009, and was appointed full professor in 2014.

Current research activities

My research activities consist in the use of theoretical modeling to determine the structural, electronic, and optical properties of organic conjugated compounds with promising characteristics for exploitation in electronics, optoelectronics, and photonic devices. In particular, I develop fragment orbital-based quantum chemical methods to describe the electronic structure of molecular fragments embedded in more complexes chemical architectures. My recent works focussed on the simulation of electron transfer mechanisms in organic semiconductors and at their interfaces, as well as on the modeling of the nonlinear optical properties of molecular systems and materials. In collaboration with organic chemists of the Institut des Sciences Moléculaires, I also perform theoretical simulations of reaction pathways involving radical species.