The team
Pincipal investigators
Frédéric CASTET (Project coordinator, Scientific leader for numerical simulations) is Professor at the University of Bordeaux since 2014 and member of the theoretical chemistry group of the Institut des Sciences Moléculaires. His research activities focus on the theoretical modelling of the structural, electronic, and optical properties of organic conjugated compounds and materials with promising characteristics for exploitation in electronic, optoelectronic and photonic devices. Specifically, he has a recognized expertise in quantum chemical simulations of NLO properties of organic (supra)molecular systems. His recent developments aimed at rationalizing the impact of dynamical geometry fluctuations and intermolecular interactions on the NLO responses of photo-responsive functionalized surfaces or biomembranes by means of computational approaches encompassing classical molecular dynamics simulations and DFT calculations.
Emilie GENIN (Scientific leader for organic synthesis, Data Manager) is Assistant Professor since 2007 and member of the Molecular Chemistry and Materials group of the Institut des Sciences Moléculaires. She has a strong expertise in multistep organic synthesis, including photochromic compounds.
Karine HEUZE is CNRS Researcher and member of the Molecular Chemistry and Materials group of the Institut des Sciences Moléculaires. She develops research activities in the field of chemical modification of surfaces (oxide or polymer), with expertise in the synthesis of specific coupling agents, including dendritic coupling agents designed for covalent grafting of biomolecules for sensors or immunosensors.
Luc VELLUTINI (Scientific leader for surface engineering) is Assistant Professor at the University of Bordeaux and leader of the Molecular Chemistry and Materials group of the Institut des Sciences Moléculaires. His research activity in the last 10 years has focused on nanoscience and surface chemistry in the context of self-assembling, including the covalent immobilization of biological structures. Part of his work was devoted to the design of new organosilanes to afford functionalized SAMs, in order to covalently immobilize biomolecules (antibodies, protein, oligonucleotides, bacteria …) onto solid substrates (glass and silicon and polymer).
Vincent RODRIGUEZ (Scientific leader for SHG development and characterizations) is Professor at the University of Bordeaux and member of the Molecular Spectroscopy group of the Institut des Sciences Moléculaires. He has an expertise in physical-chemistry and nonlinear spectroscopies of molecules and materials, including a peculiar skill in the development of original optical spectroscopy techniques.
Technical support
Frédéric ADAMIETZ is Research Engineer at CNRS and expert in the development of linear and nonlinear optical setups with specific Labview development interfacesis engineer at CNRS and has an outstanding expertise in the development of linear and nonlinear optical setups with specific Labview development interfaces.
Philippe AUREL is Engineer at CNRS and has a broad expertise in the optimization of software performances on specific computer architectures, including massive parallel HPC.
Non permanent researchers
Simon DUBUIS (PhD, March 2021 - February 2024)
Development of experimental setups and measurement of the SHG responses of the SAMs
Josianne OWONA (MSc March-July 2021)
Theoretical study of the second-order nonlinear optical properties of Stenhouse photoswitches
Komlanvi Sèvi KAKA (MSc March-May 2021)
Theoretical study of the second-order nonlinear optical properties of azobenzene derivatives