Du, Z, Alexandrov, V.N., Alfredsson, Maria, Artacho, E., Austen, K.F., Bennett, N.D., Blanchard, M., Brodholt, John P., Bruin, R.P., Catlow, C.R.A., and others. (2006) A virtual research organization enabled by eMinerals minigrid: an integrated study of the transport and immobilization of arsenic species in the environment. In: Cox, S.J., ed. Proceedings of the UK e-Science All Hands Meeting 2006. , Nottingham, UK ISBN 0-9553988-0-0. (KAR id:115288)
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| Official URL: https://www.dcc.ac.uk/news/uk-e-science-all-hands-... |
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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: | Conference proceeding |
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| Subjects: |
Q Science > QA Mathematics (inc Computing science) > QA 76 Software, computer programming, > QA76.76 Computer software Q Science > QD Chemistry |
| Institutional Unit: | Schools > School of Natural Sciences > Chemistry and Forensic Science |
| Former Institutional Unit: |
There are no former institutional units.
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| Funders: |
UK Research and Innovation (https://ror.org/001aqnf71)
Natural Environment Research Council (https://ror.org/02b5d8509) |
| Depositing User: | Maria Alfredsson |
| Date Deposited: | 16 May 2026 22:31 UTC |
| Last Modified: | 18 Jun 2026 15:34 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/115288 (The current URI for this page, for reference purposes) |
University of Kent Author Information
Alfredsson, Maria.
| Creator's ORCID: |
 https://orcid.org/0000-0002-2843-1641
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