| EPSRC Reference: |
GR/M53509/01 |
| Title: |
A COMPUTATIONAL FACILITY FOR SOLID STATE CHEMISTRY AND MATERIALS SCIENCE RESEARCH |
| 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 October 1999 |
Ends: |
30 September 2002 |
Value (£): |
256,198
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| EPSRC Research Topic Classifications: |
| Catalysis & Applied Catalysis |
Materials Characterisation |
| Surfaces & Interfaces |
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| EPSRC Industrial Sector Classifications: |
| No relevance to Underpinning Sectors |
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| Panel History: |
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Summary on Grant Application Form |
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A Silicon Graphics Origin 2000 system will be installed to provide the local computational facility for our current and future work in the field of atomistic computer modelling of structures, properties and reactivities of complex materials. Research themes which the equipment will support and facilitate include modelling of catalysis (including microporous, mesoporous and oxide catalysis), modelling of complex inorganic surfaces, electronic structure calculations on complex oxides, predictions of inorganic crystal structures, modelling of molecular materials including molecular superconductors and modelling of nucleation and templating processes in hydrothermal synthesis. The equipment will be used by a team of 30 research workers in the Davy Faraday Laboratory and will support EPSRC grants. It will additionally provide a general computational facility for the Laboratory with significant usage by experimental scientists working in the fields of catalysis and molecular superconductors and magnets, to which much of our computational work is closely coupled.
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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 |