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Details of Grant 

EPSRC Reference: GR/M05201/01
Title: T3E COMPUTING RESOURCES FOR AB INITIO SIMULATION OF COVALENTLY BONDED MATERIALS
Principal Investigator: Briddon, Dr P
Other Investigators:
Heggie, Professor MI Jones, Professor R
Researcher Co-Investigators:
Project Partners:
Department: Physics
Organisation: Newcastle University
Scheme: Standard Research (Pre-FEC)
Starts: 01 September 1998 Ends: 31 August 2001 Value (£): 4,145
EPSRC Research Topic Classifications:
Materials Characterisation
EPSRC Industrial Sector Classifications:
No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
T3E computing resources are sought by the e6 consortium Ab initio simulation of covalently bonded materials for software development and applications in the programme area of materials science. These include the theoretical study of defects in a number of different semiconductors such as Si, GaAs, novel carbon materials, silicates, the manipulation by STM of fullerenes on Si surfaces and biologically interesting materials. Much of this work is linked closely with experimental programmes carried out by both industry and academia within the UK and Europe. This application is for the renewal of a resource which we have used effectively over the last three years.
Key Findings
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Summary
Date Materialised
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Further Information:  
Organisation Website: http://www.ncl.ac.uk