The eMinerals project: developing the concept of the virtual organisation to support collaborative work on molecular-scale environmental simulations

Dove, M.T., Artacho, E., White, T.O., Bruin, R.P., Tucker, M.G., Murray-Rust, P., Allan, R.J., Kleese van Dam, K., Smith, W., Tyer, R.P., Todorov, I.T., Emmerich, W., Chapman, C., Parker, S.C., Marmier, A., Alexandrov, V. N., Lewis, G.J., Hasan, S.M., Thandavan, A., Wright, K., Catlow, C.R.A., Blanchard, M., De Leeuw, N.H., Du, Z., Price, G.D., Brodholt, J. and Alfredsson, M. (2005) The eMinerals project: developing the concept of the virtual organisation to support collaborative work on molecular-scale environmental simulations. In: Proceedings of the UK e-Science All Hands Meeting 2005, Nottingham.

Abstract/Summary

The eMinerals project has established an integrated compute and data minigrid infrastructure together with a set of collaborative tools,. The infrastructure is designed to support molecular simulation scientists working together as a virtual organisation aiming to understand a number of strategic processes in environmental science. The eMinerals virtual organisation is now working towards applying this infrastructure to tackle a new generation of scientific problems. This paper describes the achievements of the eMinerals virtual organisation to date, and describes ongoing applications of the virtual organisation infrastructure.