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Details of Grant 

EPSRC Reference: GR/M16023/01
Title: MOLECULAR MODELLING OF LIQUID CRYSTALLINE MATERIALS: HIGH PERFORMANCE COMPUTING CONSORTIUM PROPOSAL
Principal Investigator: Allen, Professor MP
Other Investigators:
Cleaver, Professor D Neal, Professor M Care, Professor CM
Wilson, Professor MR
Researcher Co-Investigators:
Project Partners:
Department: Physics
Organisation: University of Bristol
Scheme: Standard Research (Pre-FEC)
Starts: 04 January 1999 Ends: 03 January 2002 Value (£): 226,174
EPSRC Research Topic Classifications:
Materials Characterisation
EPSRC Industrial Sector Classifications:
No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
This is a consortium proposal for access to high performance computing facilities, manpower and travel funds wh will enable us to continue and expand our existing, successful, collaboration in the molecular simulation of li crystals. We plan to develop our existing computer codes, which already run efficiently on the Cray T3D and IH to allow us to simulate larger systems of molecules composed of both rigid and flexible molecular units, and to incorporate a wider range of boundary conditions and model parameters. We intend to study a wide range of func materials at the molecular level, making connections with meso-scale properties, concentrating on structure and dynamics relevant to device design and performance. Systems of interest include main-chain and side-chain poly liquid crystals, liquid crystal elastomers, polymer dispersed liquid crystals, confined liquid crystal films, ferroelectric phases, and lyotropic liquid crystals. ------------------------------------------------------------------------Keywords describing areas of proposal.Condensed Matter, Computing, Materials, Devices, Surfaces, Atomic and Molecular
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Organisation Website: http://www.bris.ac.uk