I am working at the Max Planck Institute for Polymer Research on multiscale modeling of charge transport in conjugated materials. The concept behind this project is to use atomistic simulation, quantum chemical and numerical charge transport simulation methods to obtain a microscopic understanding of the factors contributing to charge transport. So far this method has been applied to the discotic liquid crystal hexabenzocoronene.

I obtained my PhD from Imperial College in 2007. My doctorate was spent calculating the parameters relevant for charge transport in conjugated materials. In particular, I developed programs to efficiently calculate electrostatic disorder and transfer integrals. These programs were first checked against more ab-initio methods and then applied to a variety of experimental problems. In particular I tried to explain the different charge transport characteristic of differently substituted spiro linked triarylamine derivate and of dialkoxy poly paraphenylene vinylene with different side chain lengths. I also worked with the group of A. Walker from the university of Bath on studying the influence of disorder in crystalline poly fluorene.

While at Imperial College I also used multi reference quantum chemical methods to study the low energy emission in fluorenone. I also worked on studying the limiting efficiency of organic solar cells.