Theoretical Photochemistry and Photophysics

As part of a new university funding initiative a fully funded (fees and maintenance) PhD studentship is available within the group of Dr Martin Paterson at Heriot-Watt University, Edinburgh.

Our work involves the modelling of electronically excited processes important across a range of science and technology. We are currently developing new methods to describe electron correlation in molecules (see for example Recent Res. Dev. Chem. Phys. 2012 (6), 41). We are interested in non-adiabatic processes involving a breakdown of the Born-Oppenheimer approximation, leading to ultrafast chemistry on a femtosecond timescale in both organic and inorganic systems. In (bio)organic chemistry such reactions are responsible for the photostability of biological chromophores, and it appears that this chemistry has been optimized by nature (see for example Chem. Sci. 2012 (3), 1192). In inorganic chemistry highly unusual non-classical reactive intermediates can be created (Adv. Inorg. Chem. 2010 (62), 351) leading to highly novel physical chemistry. We are also interested in the application of response theory to two-photon absorption (TPA). This technique has much promise in the design of new anticancer photodynamic agents and we are actively involved in the design of such systems (Chem. Commun. 2012 (48), 1544). The studentship available will involve the extension and development of existing methodologies to larger molecular and supramolecular systems, and subsequent applications projects across several of the topics alluded to above. For more information on the research group please see http://theophotochem.eps.hw.ac.uk.