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Details of Grant 

EPSRC Reference: GR/M05348/01
Title: THE CONSORTIUM FOR COMPUTATIONAL QUANTUM MANY-BODY THEORY
Principal Investigator: Foulkes, Professor WMC
Other Investigators:
Needs, Professor RJ Godby, Professor RW
Researcher Co-Investigators:
Project Partners:
Department: Physics
Organisation: Imperial College London
Scheme: Standard Research (Pre-FEC)
Starts: 06 August 1998 Ends: 05 September 2001 Value (£): 9,576
EPSRC Research Topic Classifications:
Condensed Matter Physics
EPSRC Industrial Sector Classifications:
No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
The development of accurate computer simulation methods for real materials is a central goal of solid state and materials physics, and one with obvious technological and industrial applications. The fundamental quantum mechanical equations are known, but most current approaches are based on approximations of limited accuracy and generality. During the last few years, our consortium has been one of several pioneering groups developing a new approach based on direct simulation of the full many-electron Schroedinger equation. This approach can give almost unlimited accuracy, but only at the cost of increased computational complexity. Our past successes have been widely recognised, but the continued progress of our work (including several projects funded by the EPSRC) depends on continued access to massively parallel computers such as the T3E. This proposal asks for T3E time for the next three years, the amount requested being similar to our current allocation. Our ambitious workplan includes ground-breaking applications of many-body simulation to surfaces, to the study of defects in silicon and diamond, to the interpretation of muon spin rotation and positron annihilation data, and to the theory of Mott insulators. We are the only group in the world capable of carrying out simulations such as these.
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Organisation Website: http://www.imperial.ac.uk