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Paper ID: 1498

A virtual research organization enabled by eMinerals minigrid: an integrated study of the transport and immobilisation of arsenic species in the environment
Z,Du V N,Alexandrov M,Alfredsson E,Artacho K F,Austen N D,Bennett M,Blanchard J P,Brodholt R P,Bruin C R A,Catlow C,Chapman D J,Cooke T G,Cooper M T,Dove W,Emmerich S M,Hasan S,Kerisit N H,de Leeuw G J,Lewis A,Marmier S C,Parker G D,Price W,Smith I T,Todorov R P,Tyer K,Kleese van Dam A M,Walker T O H,White K,Wright

Appeared in: Proceedings of the UK e-Science All Hands Conference 2006 website: http://www.allhands.org.uk/2006/
Page Numbers:481 - 489
Publisher: National e-Science Centre
Year: 2006
ISBN/ISSN: 0-9553988-0-0
Contributing Organisation(s):
Field of Science: e-Science

URL: http://www.allhands.org.uk/2006/proceedings/papers/632.pdf

Abstract: We have carried out a comprehensive computational study of the structures and properties of a series of iron-bearing minerals under various conditions using grid technologies developed within the eMinerals project. The work has enabled by a close collaboration between computational scientists from different institutions across the UK, as well as the involvement of computer and grid scientists in a true team effort. We show here that our new approach for scientific research is only feasible with the use of the eMinerals minigrid. Prior to the eMinerals project, such an approach would have been almost impossible within the timescale available. The new approach allows us to achieve our goals in a much quicker, more comprehensive and detailed way. Preliminary scientific results of an investigation of the transport and immobilisation of arsenic species in the environment are presented in the paper.

Keywords: e-Science, AHM 2006


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