We work at the theoretical level on the problem of light-matter interaction in nano structures. Besides method development on the dynamics of correlated many-electron systems, also the application to technologically relevant systems is a focal point. Examples are dye-sensitized solar cells, semiconductor quantum dots as flurescence markers in biology as well as photo-active amorphous materials that are used in the coating of rewritable CDs and DVDs. To this end computer simulations are performed which help in the understanding and prediction of light-induced processes at the atomic scale.

At the Institut Lumière Matière we are member of the groups Modélisation de la Matière Condensée et des Interfaces and (nano)Matériaux pour l'Energie.     

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Most recent publication

Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods
Gao, X., Bai, S., Fazzi, D., Niehaus, T. , Barbatti, M., and Thiel, W.
J. Chem. Theory Comput. , Article ASAP

Fragmenting footballs

Excited state molecular dynamics simulation of a fullerene subjected to a 100 fs laser pulse with 1.55 eV carrier frequency and fluence of 1.3 J/cm2.

Institut Lumière Matière