Hi all, Prof. Afshan Mohajeri has been visiting the group from Shiraz University during her sabbatical. Tomorrow she will give group meeting in the Div Room at 2:30. See below for the title and abstract. Best, Ian ------------------------------------- Speaker: Afshan Mohajeri Title: 1- Fullerene-based materials for solar cell applications 2- Utilizing Bayesian approach for the accurate description of non-covalent interactions Abstract: First I present one of my recent publications about the application of fullerene derivatives as the key materials for high performance polymer solar cells. We have performed density functional theory calculations to investigate the electronic structures and magnetic properties of several representative C60 fullerene derivatives, seeking ways to improve their efficiency as acceptor of photovoltaic devices. Various quantum chemical properties have been employed to establish several correlation relationships for prediction of *V*OC of fullerene based solar cells. The obtained structure-property correlations opens the ways for manipulating fullerene derivatives and finding the best fullerene acceptor match for P3HT donor. Next I briefly explain my research at Harvard University which is about utilizing Bayesian approach for the description of non-covalent interactions.