A virtual research organization enabled by eMinerals minigrid: An integrated study of the transport and immobilisation of arsenic species in the environment

Du, Z. and Alexander, V. N. and Alfredsson, M. and Artacho, E. and Austen, K. F. and Bennett, N. D. and Blanchard, M. and Brodholt, J. P. and Bruin, R. P. and Catlow, C. R. A. and Chapman, C. and Cooke, D. J. and Cooper, T. G. and Dove, M. T. and Emmerich, W. and Hasan, S. M. and Kerisit, S. and de Leeuw, N. H. and Lewis, G. J. and Marmier, A. and Parker, S. C. and Price, G. D. and Smith, W. and Todorov, I. T. and Tyer, R. and Kleese van Dam, K. and Walker, A. M. and White, T. O. H. and Wright, K. (2006) A virtual research organization enabled by eMinerals minigrid: An integrated study of the transport and immobilisation of arsenic species in the environment. In: Proceedings of the UK e-Science All Hands Meeting 2006. National eScience Centre, pp. 481-488. ISBN 0955398800

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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 immobilization of arsenic species in the environment are presented in the paper.

Item Type: Book Section
Additional Information: see Application and uses of CML within the eMinerals project for pdf of proceedings
Uncontrolled Keywords: 2006 AREP IA52 2006 P
Subjects: 03 - Mineral Sciences
Divisions: 03 - Mineral Sciences
Page Range: pp. 481-488
Depositing User: Sarah Humbert
Date Deposited: 16 Feb 2009 13:01
Last Modified: 23 Jul 2013 10:00
URI: http://eprints.esc.cam.ac.uk/id/eprint/17

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