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Environment from the Molecular Level A NERC eScience testbed project |
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eMinerals web site: site map
About the eMinerals project
History of the eMinerals project
Science in the eMinerals project
eScience in the eMinerals project
Simulation codes/methods used within the eMinerals project
Expertise within the eMinerals project team
Documents produced by the eMinerals team
eScience activities
Metadata management
Grid tools
my_condor_submit: our grid job submission tool
RMCS: a web services packaging of my_condor_submit to facilitate grid job submission from the desktop
Gridsam wrapping of my_condor_submit functionality with workflow capabilities
RCommands: an infrastructure for metadata management
Pelote: Graph plotting XML
TobysSRB: SRB web-based client that enables viewing of XML and SVG files
ccViz: Web interface to XML documents generated by simulations
MAST: Multicast application sharing tool that runs as an Access Grid service - manual, technical details, roadmap
Grid technologies
eMinerals highlights
Anomolous compressibility of amorphous silica
Modelling the structure and properties of Iron Sulfide minerals
Arsenic incorporation into FeS2 pyrite
Atomistic simulation of aqueous solutions in the vicinity of Iron hydroxide surfaces
Hydration,dissolution and nucleation processes at the alpha-quartz (0001) surface in liquid water
Quantum Monte Carlo calculations on MgO
Fe-bearing minerals beyond Density Functional Theory
Non stoichiometric surfaces: stability and thermodynamics
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