| EPSRC Reference: |
GR/J31865/01 |
| Title: |
COMPUTATIONAL STUDIES OF POLAR AND MOLECULAR SOLIDS |
| Principal Investigator: |
Catlow, Professor R |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| 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
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| EPSRC Research Topic Classifications: |
| Materials Characterisation |
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Summary on Grant Application Form |
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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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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.rigb.org |