Department of Chemistry
Location:  Guildford
Post Type:  Full Time
Closing Date:  Monday 30 June 2014
Interview Date:  To be confirmed
Reference:  021114

A fully funded PhD position in the field of first principles quantum mechanical modelling of materials is available in the group of Dr. Mark Rayson (http://www.surrey.ac.uk/chemistry/people/mark_rayson/index.htm ). The group is one of the two development centres of the AIMPRO software package (aimpro.ncl.ac.uk ) used by a number of groups across Europe, including the group of Prof. Malcolm Heggie here at Surrey (http://www.surrey.ac.uk/chemistry/people/prof_malcolm_heggie/ ).

The University of Surrey is located in Guildford, the county town of Surrey, approximately 27 miles southwest of London with a direct train connection taking around 30-40 minutes. For more information on the town and surrounding area see http://www.reaction-group.co.uk/ePages/starfish/Visiting_Surrey/index.html#/44/ . 

The project will involve the development of new methods and implementations to improve both the efficiency and accuracy of quantum mechanical simulations as well as the application of these methods to problems made feasible by these advances. Methodological work may include, but is not limited to, topics such as the improving the accuracy and efficiency of the density functional energy kernel, thermal and mechanical properties, structural optimisation and molecular dynamics.

The group works closely with several groups locally, nationally and internationally that apply ab initio methods to problems including the behaviour of graphite in nuclear reactors, emerging applications of graphene and nanotechnology and semiconductor physics. A recent application interest, tied closely to methodological advances, is the rapid quantum mechanical simulation of liquid water, which is essential for the correct treatment of biological processes.  However, the student is also free to, and will be encouraged to, find his/her own applications of interest that would benefit from first principles quantum mechanical simulation.

How to Apply:

Applicants should have (or be about to receive) an honours degree (at least II.1 or equivalent) in chemistry, physics or materials science. Familiarity with programming (preferably FORTRAN) and unix/linux operating systems would be an advantage. It is a requirement that applicants have excellent skills in communication in English (both written and spoken).

Please send your CV and a covering letter explaining the reason you are interested in this studentship to m.j.rayson@surrey.ac.uk .

Closing date for applications: 30 June 2014

Start date: 1st October 2014

For further information about the University of Surrey, please visit www.surrey.ac.uk .  

The University is committed to an Equal Opportunities Policy.