Dr. Anthony J. H. M. Meijer, University of Sheffield

Transition metal complexes may be used in applications such as the detection of pollutants in river water and the detection of specific DNA sequences. This project will use the ONETEP linear-scaling density functional theory to study the interactions of transition metal complexes with other molecules ranging from single halide atoms through to strands of DNA containing thousands of atoms. The influence of these interactions upon the photochemistry of the complexes will be studied and the results will be used to refine their properties in line with the applications described above.