Dr. Niall English
Scholar: Niall English
Sponsor: CRH Scholarship
Project Title: Computational modeling of hydrogen storage in clathrate hydrates
Home University: UCD
University to Visit: University of Saskatchewan
I was very grateful to receive the research visit award from the Ireland Canada University Foundation, as it allowed me to spend several weeks in the Summer of 2007 working with Prof. John Tse and his group at the University of Saskatchewan in Saskatoon.
Prof. Tse is a prominent international figure in quantum-based Density Functional Theory (DFT), and the ICUF scheme afforded me a unique and wonderful opportunity to hone my skills in this area, by carrying out DFT simulations of water, ice, titania and hydrogen hydrate.
I also commenced work during my visit on a collaboration with Prof. Tse in modelling thermal conduction in a variety of methane hydrates using classical molecular dynamics. This collaboration has been very fruitful during 2007-08, resulting in a joint conference paper at the International Conference on Gas Hydrates (Vancouver, July 2008), and also in a journal paper to be submitted during 2008. Our collaboration is ongoing with Prof. Tse visiting me in May 2008, when we continued our joint research on hydrate thermal conductivity and also planned to analyse dynamical thermal properties in other materials of interest.
The ICUF research visit scheme is an excellent programme, and I shall always be grateful to it for facilitating active, interesting and productive links between myself and Prof. Tse and his colleagues in Canada.