| EPSRC Reference: |
GR/R97207/01 |
| Title: |
e-Science Technologies in the Simulation of Complex Materials |
| 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 August 2002 |
Ends: |
31 January 2006 |
Value (£): |
790,873
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| EPSRC Research Topic Classifications: |
| Artificial Intelligence |
Chemical Structure |
| Networks & Distributed Systems |
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| EPSRC Industrial Sector Classifications: |
| Manufacturing |
Communications |
| Creative Industries |
Pharmaceuticals and Biotechnology |
| Information Technologies |
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| Related Grants: |
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| Panel History: |
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Summary on Grant Application Form |
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A combination of novel computational and computer science methodologies and teams will develop GRID e-Science technologies to deliver new simulation solutions to problems and fields relating to combinatorial materials science and polymorph prediction. The project will exploit the latest developments in scientific simulation methodologies (both electroni structure and forcefield based) and hardware ranging from desktop to HPC. It will establish a field tested integrated data an, computing e-Science infrastructure customised for these key areas of current materials science. This infrastructure wil among others, enable the automatic submission of simulations triggered by the identification of knowledge gaps in the databas in response to user queries. Furthermore, the automatic integration of experimental and computational results for screenin applications will be supported. The project will interact strongly with other e-Science initiatives, especially the Reality Grid.Direct interactions and collaboration with both UK and European industry will be an essential feature of the project, wit technology transfer being one of the project's central aims.
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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 |