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Details of Grant 

EPSRC Reference: EP/D504929/1
Title: A National Service for Computational Chemistry Software
Principal Investigator: Dyke, Professor J
Other Investigators:
Allan, Professor NL Williams, Professor I Hirst, Professor J
Robb, Professor M A Balint-Kurti, Professor G Heyes, Professor DM
Karadakov, Professor P
Researcher Co-Investigators:
Project Partners:
Department: Chemistry
Organisation: Imperial College London
Scheme: Standard Research (Pre-FEC)
Starts: 15 November 2005 Ends: 14 March 2009 Value (£): 2,297,936
EPSRC Research Topic Classifications:
Software Engineering
EPSRC Industrial Sector Classifications:
Chemicals Pharmaceuticals and Biotechnology
Related Grants:
Panel History:  
Summary on Grant Application Form
The National Service for Computational Chemistry Software will provide support to academics across the UK by providing them with access to chemistry software packages. The programs can be used to model the structures of chemical systems, explore the energetics of chemical reactions and determine the properties of molecules, and the calculations performed underpin a wide range of experimental research. It is proposed that in addition to this the Service will provide state-of-the-art computer resources, advice on what software to use and how to use it, software training sessions (both individual and group), and a web browser interface for users to access the Service machines. The Service staff will also become involved with running routine calculations for users and helping users with research projects that will last for several months.
Key Findings
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Potential use in non-academic contexts
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Impacts
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Summary
Date Materialised
Sectors submitted by the Researcher
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Project URL:  
Further Information:  
Organisation Website: http://www.imperial.ac.uk