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The Centre for Scientific Computing



I completed my Masters degree in Theoretical Physics at the University of York. The degree was highly computational, giving me an interest in the development and implementation of theory aimed at solving computational problems. My main project in the CDT will involve the search for quantum mechanical simulation techniques for metals on the multi-nanometre length scale. Currently, linear scaling within DFT is possible for materials with nonvanishing band gaps, but the 'long-range' nature of quantum mechanics in metals limits studies of systems such as catalytic or magnetic nanoparticles, which are of interest to industry and display characteristics very different to their bulk counterparts. This project will be carried out in collaboration with one of the industrial partners of the CDT.

CDT student 2014-15
Mr Kevin  Duff
Not available for consultancy