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e-Science Technologies in the Simulation of Complex Materials

N/A13

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, with technology transfer being one of the project's central aims.

Maturity: Initial Research
Region: UK
Type: Open Call
Grant Value: £790,873.00
Start Date: 01/07/2002
End Date: Not specified
Project Status: funded
Funding Agency: Core


Project Members
PI
Prof C. Catlow


Collaborating Organisations
Avantium Technologies
Btexact Technologies
GlaxoSmithKline (GSK)
IBM
The Royal Institution of Great Britain


Component(s) Project Develops
Application Services
Data Management Services
Grid Computational Services
Instrument Management Services
Domain/ Task Ontologies and Metadata


Application Area(s) associated with Project
Bio-Sciences
Engineering & Physical

 

Last Updated: 22 Jun 12 11:02
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