MSc/PhD Studentships in Computational Materials Science Two NSERC funded graduate studentships (MSc or PhD) in the area of computational materials science are available within the group of Prof. Sean McGrady (Inorganic Chemistry) at the University of New Brunswick (UNB) in Fredericton, Canada. The McGrady group has a wide-ranging program to develop light metal hydrides as hydrogen storage materials for use in vehicular fuel cells in a 'hydrogen economy'. This research has been given much impetus recently with the declining reserves of hydrocarbons, with the environmental and geopolitical issues associated with fossil fuels, and with the development of hybrid and electric cars.
The two students will be part of a new computational sub-group within our hydrogen storage team that will employ quantum chemical methods (software packages WIEN2k and CRYSTAL) to gain a deeper insight into the hydrogenation and dehydrogenation processes in these materials. The nature of dopants and their vital role in catalyzing the uptake and/or release of hydrogen will also be investigated. In addition to the computational studies, the students will have ample opportunity to interact with other members in our research team and gain experience in the synthesis and characterization of these materials by a range of analytical techniques. Attendance at an international computational workshop as well as at conferences will also form part of their studies. The ideal candidates will have a background in chemistry, physics or materials science, with a strong interest in computational methods for solid-state materials. Experience in density functional theory methods is desirable, although not necessary. The positions are available with a nominal starting date of September 1, 2008. Applicants are requested to submit CV and transcripts as soon as possible directly to Sean McGrady at smcgrady at unb.ca and/or Peter Sirsch at psirsch at unb.ca before making an official application for graduate studies to UNB. More information on the project available upon request.
