Expertise within the eMinerals project
This list 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
- Materials for long-term storage of nuclear waste
- Adsorption of organic molecules on mineral surfaces
- Adorption of cations on mineral surfaces
- Silicate, carbonate and sulphide minerals
- Metal oxides
- High-temperature and high-pressure properties of materials
- Defects and diffusion within materials
- Mineral–fluid interfaces and interactions
- Fluids and melts
- Inner Earth
- Organic and inorganic pollutants and their interactions with minerals
- Crystal growth and precipitation
- Crystal morphology
- Crystal dissolution and weathering
- Phase transitions and transformations
Simulation methodologies
- Large scale molecular dynamics
- Monte Carlo methods
- SImulations of surfaces
- Non-equilibrium molecular dynamics
- Lattice dynamics
- Ab initio (quantum mechanics) methods
- Linear scaling methods
- Lattice energy calculations
- Interatomic potentials
Computing and Grid technologies
- Building PC clusters
- Building large and small heterogeneous grid systems, including inter-institute and cross-organisation grids as well as intra-institute grids
- Condor technology for distributed computing
- Building large scale condor pools
- Portal technologies
- Use of Globus toolkit for development of computational grids
- Storage Resource Broker technology
- Data management
- Use of Access Grid, particularly personal version
- Multicast technologies
- XML for computational science
- Workflow within a grid environment
- Web and grid services
