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Details of Grant 

EPSRC Reference: GR/J31865/01
Title: COMPUTATIONAL STUDIES OF POLAR AND MOLECULAR SOLIDS
Principal Investigator: Catlow, Professor R
Other Investigators:
Price, Professor SL Price, Professor D
Researcher Co-Investigators:
Project Partners:
Department: Davy Faraday Research Laboratory
Organisation: Royal Institution of Great Britain
Scheme: Standard Research (Pre-FEC)
Starts: 01 January 1994 Ends: 31 December 1996 Value (£): 236,505
EPSRC Research Topic Classifications:
Materials Characterisation
EPSRC Industrial Sector Classifications:
Related Grants:
Panel History:  
Summary on Grant Application Form
A workstation cluster will be used in conjunction with our existing CONVEX computer to undertake a broad programme of computational studies in the fields of catalysis, cerami mineralogy and molecular solid state chemistry. Strong emphasis will be given to the development of new code for (i) modelling the diffusion, sorption and reaction of molecule in catalysts, (ii) studying defects and surfaces in minerals and (iii) improvements to interatomic potential models for molecular crystal, and bimolecular systems.
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Further Information:  
Organisation Website: http://www.rigb.org