Expertise within the eMinerals project

This page gives the range of expertise within the eMinerals project. Here we seperately list expertise for science, simulation methodologies and computing & grid technologies.

The important point about our expertise is that it comes as a complete package, in that the technical expertise has been driven by direct interaction with science end users.

Please contact Martin Dove for further information.

Science

1. Materials for long-term storage of nuclear waste
2. Adsorption of organic molecules on mineral surfaces
3. Adsorption of cations on mineral surfaces
4. Silicate, carbonate and sulphide minerals
5. Metal oxides
6. High-temperature and high-pressure properties of materials
7. Defects and diffusion within materials
8. Mineral–fluid interfaces and interactions
9. Fluids and melts
10. Inner Earth
11. Organic and inorganic pollutants and their interactions with minerals
12. Crystal growth and precipitation
13. Crystal morphology
14. Crystal dissolution and weathering
15. Phase transitions and transformations

Simulation methodologies

1. Large scale molecular dynamics
2. Monte Carlo methods
3. Simulations of surfaces
4. Non-equilibrium molecular dynamics
5. Lattice dynamics
6. Ab initio (quantum mechanics) methods
7. Linear scaling methods
8. Lattice energy calculations
9. Interatomic potentials

Computing and Grid technologies

1. Building PC clusters
2. Building large and small heterogeneous grid systems, including inter-institute and cross-organisation grids as well as intra-institute grids
3. Condor technology for distributed computing
4. Building large scale condor pools
5. Portal technologies
6. Use of Globus toolkit for development of computational grids
7. Storage Resource Broker technology
8. Data management
9. Use of Access Grid, particularly personal version
10. Multicast technologies
11. XML for computational science
12. Workflow within a grid environment
13. Web and grid services

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Last edit 11/7/06
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