## Team Introduction

The research activity of the Modélisation des Systèmes Complexes team (MSC) focuses on two main areas: research and validation of methodologies based on DFT, and DFT method validation on large and real systems of electrochemical and/or chemical interest.

The first main thematic of research concerns the development and the implementation of new functionals for exchange and correlation. The second is to study the effect of self-interaction error (SIE) on some exchange functionals, and to correct this effect. A final and recent area of development concerns the implementation of a spin-orbit coupling correction in the Gaussian program package.

The second main thematic of research focuses on the DFT method applications developed to analyze the properties of complex chemical systems. In particular, we have focused our efforts on two main issues, the dye sensitized cells (in collaboration with the team of Dr. Lincot) and the electrochemical sensors based on metal macro-complexes (in collaboration with the team of Dr. F. Bedioui).