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Computational Chemistry at EaStCHEM

Andrew Turner

The EaStCHEM Research Computing Facility (RCF) has been set up to allow non-computationally orientated research chemists to make use of the latest computational tools. This will open up new avenues of research and lead to further innovation. One way in which the power of computational chemistry could be opened up to the lay-user is through the use of portals and grid computing. Although we now have a functioning EaStCHEM grid, we do not have any simple, graphical interfaces to allow users to access it. We hope that, in collaboration with NeSC, we will be able to develop such interfaces. In this talk I will give a brief overview of the type of computational tools commonly used within the RCF and the requirements for using these tools over a grid.

Date and time: 
Wednesday, 30 January, 2008 - 11:00
45 minutes