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Details of Grant 

EPSRC Reference: GR/R06137/01
Title: Computer Modelling of Liquid Crystals, Biological Systems, Electrochemical Processes, and Gas-Phase Clusters
Principal Investigator: Luckhurst, Professor GR
Other Investigators:
Dyke, Professor J Levitt, Professor MH Bates, Dr MA
Sluckin, Professor T Denault, Dr G Essex, Professor JW
Denuault, Dr G
Researcher Co-Investigators:
Project Partners:
SGI
Department: School of Chemistry
Organisation: University of Southampton
Scheme: JREI
Starts: 23 November 2001 Ends: 22 November 2004 Value (£): 144,016
EPSRC Research Topic Classifications:
Gas & Solution Phase Reactions
EPSRC Industrial Sector Classifications:
Pharmaceuticals and Biotechnology Chemicals
Electronics Creative Industries
Related Grants:
Panel History:  
Summary on Grant Application Form
This proposal seeks to obtain a high-performance computational facility that will be used by seven research groups with overlapping scientific interests in computational chemistry. It will be utilised in the study of a range of new chemical problems in the areas of liquid crystals, solid-state NMR, and biological systems, as well as gas-phase electronic spectroscopy of small reactive molecules and complexes, and the study of electrode processes and solution chemistry. In all cases, the results will be compared with, and guide, experimental measurements. The proposed research requires significant computing resources: fast processing, large amounts of fast memory and disk space. This is no longer available with existing local resources and this is restricting the nature of our work. Indeed, the quality and range of what can be achieved by the applicants would be very much improved if a local dedicated facility were available.
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Summary
Date Materialised
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Project URL:  
Further Information:  
Organisation Website: http://www.soton.ac.uk