The files can be opened by clicking on the gray rollover boxes containing the references, or downloaded using a button/click combination.
Environment from the molecular level: an escience testbed project. MT Dove, M Calleja, J Wakelin, K Trachenko, G Ferlat, P Murray-Rust, NH de Leeuw, Z Du, GD Price, PB Wilson, JP Brodholt, M Alfredsson, A Marmier, RP Tyer, LJ Blanshard, RJ Allan, K Kleese van Dam, IT Todorov, W Smith, VN Alexandrov, GJ Lewis, A Thandavan, SM Hasan. Proceedings of UK e-Science All Hands Meeting 2003, (EPSRC, ISBN 1-904425-11-9) pp 302–305
Calculating activation energies in diffusion processes using a Monte Carlo approach in a grid environment. M Calleja and MT Dove. Lecture Notes in Computer Science, 3039, Part 4, pp 483–490, 2004
Science outcomes from the use of Grid tools in the eMinerals project. S Wells, M Alfredsson, J Bowe, J Brodholt, R Bruin, M Calleja, R Catlow, DJ Cooke, MT Dove,, Z Du, S Kerisit, N de Leeuw, A Marmier, S Parker, GD Price, B Smith, H Spohr, I Todorov, K Trachenko, J Wakelin, K Wright. Proceedings of the UK e-Science All Hands Meeting 2004, (ISBN 1-904425-21-6), pp 240–247, 2004
Grid computing and molecular simulations: the vision of the eMinerals project. MT Dove and NH de Leeuw. Molecular Simulations 31, 297–301, 2005
A computational study of the effect of Li-K solid solutions on the structures and stabilities of layered silicate materials – an application of the use of Condor pools in molecular simulation. Z Du, NH de Leeuw, R Grau-Crespo, PB Wilson, JP Brodholt, M Calleja and MT Dove. Molecular Simulations 31, 339–347, 2005
eScience usability: the eMinerals experience. MT Dove, TO White, RP Bruin, MG Tucker, M Calleja, E Artacho, P Murray-Rust, RP Tyer, I Todorov, RJ Allan, K Kleese van Dam, W Smith, C Chapman, W Emmerich, A Marmier, SC Parker, GJ Lewis, SM Hasan, A Thandavan, V Alexandrov, M Blanchard, K Wright, CRA Catlow, Z Du, NH de Leeuw, M Alfredsson, GD Price, J Brodholt. Proceedings of All Hands 2005 (ISBN 1-904425-53-4), pp 30–37, 2005
eScience methods for the combinatorial chemistry problem of adsorption of pollutant organic molecules on mineral surfaces. TO White, RP Bruin, J Wakelin, C Chapman, D Osborn, P Murray-Rust, E Artacho, MT Dove, M Calleja. Proceedings of All Hands 2005 (ISBN 1-904425-53-4), pp 773–780, 2005
eMinerals: Science Outcomes enabled by new Grid Tools. M Alfredsson, E Artacho, M Blanchard, JP Brodholt, CRA Catlow, DJ Cooke, MT Dove, Z Du, NH de Leeuw, A Marmier, SC Parker, GD Price, JMA Pruneda, W Smith, I Todorov, K Trachenko, and K Wright. Proceedings of All Hands 2005 (ISBN 1-904425-53-4), pp 788–795, 2005