A Virtual research organization enabled by eMinerals minigrid: an integrated study of the transport and immobilization of arsenic species in the enviornment

Du, Z; Alexandrov, VN; Alfredsson, M; Artacho, E; Austen, KF; Bennett, ND; Blanshard, M; Brodholt, JP; Bruin, RP; Catlow, CRA; Chapman, C; Cooke, DJ; Cooper, TG; Dove, MT; Emmerich, W; Hasan, SM; Kerisit, S; De Leeuw, NH; Lewis, GJ; Marmier, A; Parker, SC; Price, GD; Smith, W; Todorov, IT; Tyer, RP; Kleese Van Dam, K; Walker, AM; White, TOH; Wright, K

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Persistent URL	http://purl.org/net/epubs/work/36480
Record Status	Checked
Record Id	36480
Title	A Virtual research organization enabled by eMinerals minigrid: an integrated study of the transport and immobilization of arsenic species in the enviornment
Contributors	Z Du (Brikbeck College and UCL), VN Alexandrov (Reading U. ), M Alfredsson (UCL), E Artacho (Cambridge U.), KF Austen (Cambridge U.), ND Bennett (CCLRC Daresbury Lab.), M Blanshard (Royal Institution ), JP Brodholt (UCL), RP Bruin (Cambridge U.), CRA Catlow (Royal Institution), C Chapman (UCL), DJ Cooke (Bath U.), TG Cooper (Cambridge U.), MT Dove (Cambridge U.), W Emmerich (UCL), SM Hasan (Reading U.), S Kerisit (Bath U.), NH De Leeuw (Birbeck College and UCL ), GJ Lewis (Reading U.), A Marmier (Bath U.), SC Parker (Bath U.), GD Price (UCL), W Smith (CCLRC Daresbury Lab.), IT Todorov (CCLRC Daresbury Lab.), RP Tyer (CCLRC Daresbury Lab.), K Kleese Van Dam (CCLRC Daresbury Lab.), AM Walker (Cambridge U.), TOH White (Cambridge U.), K Wright (Royal Institution )
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 accross 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 in 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.
Organisation	CCLRC , CSE , ESC , ESC-DMG , CSE-CCG
Keywords	Natural environment , Data Management , eMinerals
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Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Paper In Conference Proceedings	In eScience All Hands Meeting , (2006).		632.pdf	2006