PhD in computational and structural chemistry, University of Canterbury, Christchurch, New Zealand

One three-year PhD scholarship is available from January 1, 2012 
to work under the supervision of Dr Deborah Crittenden. This project 
involves the design and development of new ultra-light photo-
switchable hydrogen storage materials. The safe, efficient and portable 
storage of hydrogen gas produced during photolysis is one of the few 
remaining challenges to establishing the hydrogen economy and 
reducing world dependence on fossil fuels for energy production. 
Computational quantum chemical methods will be used to tune the 
hydrogen-adsorbing abilities of and transition energies between 
different quantum states of functionalized polymers and nanoporous 
lattice materials to produce a material that releases hydrogen gas 
upon irradiation with visible light, and readsorbs hydrogen in the dark.

Applicants for this scholarship should have a good knowledge of 
quantum mechanics. Experience using unix-based computer systems 
and quantum chemical programs would be advantageous but is not required.

A second three-year PhD scholarship is available in structural chemistry 
to work under the supervision of Dr Sarah Masters with the same start date. 
The group employs the technique of gas electron diffraction (GED) to study 
molecular structure in the gas phase, with current focus in the novel area of 
structure determination of short-lived species. Interpreting the diffraction 
patterns involves the use of computational quantum chemical methods as 
part of the structure refinement process. The GED apparatus has been modified 
to use, where appropriate, very high temperature inlet systems to generate 
transient species in situ. This project will continue the development of new 
methods for species generation, concentrating on photolysis methods. 

For this project, experience in the use of photolysis methods is desirable, 
along with the use of computational techniques for structure determination. 
A strong interest in the development of new experimental techniques is essential.

For both projects, candidates should have, or be about to receive, a first-class 
Honours degree (or equivalent) in chemistry or physics. 

Further details are available through the Department of Chemistry website at
the University of Canterbury (http://www.chem.canterbury.ac.nz) or by visiting
Dr Crittenden's website (http://www.chem.canterbury.ac.nz/people/crittenden.shtml)
or Dr Masters' website (http://www.chem.canterbury.ac.nz/people/masters.shtml).

Applicants should send a full CV and the names and contact details of two 
referees to diane.caddick@canterbury.ac.nz

Successful applicants must also apply for a University of Canterbury scholarship 
(closing date 15th October 2011). Two types of UC scholarship are available, 
Canterbury scholarships for NZ citizens or permanent residents and UC 
International Doctoral Scholarships for international students.

Applications will be assessed from 1st August 2011 - 15th October 2011.