Research in the Penfold group focuses upon theoretical and computation studies of photoexcited dynamics over a wide variety of time and length scales. These are performed in order to achieve a sophisticated understanding of molecules and their excited state properties, of particular relevance to applications such as solar cells, photocatalysis and organic light emitting diodes.

To achieve this, we employ and develop a variety of theoretical and computational approaches. We are especially interested in approaches to quantum dynamics, i.e. solving the time-dependent Schroedinger equation.

Where ever possible we also try to combine our simulations with experimental studies, such as ultrafast pump-probe spectroscopy. We are especially interested in simulations associated with new and exciting experiments made possible from the development of X-ray free electron lasers.