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Number of items: 13.

March 2009

Salje, E. K. H. and Artacho, E. and Austen, K. F. and Bruin, R. P. and Calleja, M. and Chappell, H. F. and Chiang, G. T. and Dove, M. T. and Frame, I. and Goodwin, A. L. and Kleese van Dam, K. and Marmier, A. and Parker, S. C. and Pruneda, J. M. and Todorov, I. T. and Trachenko, K. and Tyer, R. P. and Walker, A. M. and White, T. O. H. (2009) eScience for molecular-scale simulations and the eMinerals project. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 367 (1890). pp. 967-985. DOI 10.1098/rsta.2008.0195

February 2008

Bruin, R. P. and White, T. O. H. and Walker, A. M. and Austen, K. F. and Dove, M. T. and Tyer, R. P. and Couch, P. A. and Todorov, I. T. and Blanchard, M. O. (2008) Job submission to grid computing environments. Concurrency and Computation: Practice and Experience, 20 (11). pp. 1329-1340. DOI 10.1002/cpe.1290

2007

Walker, A. M. and Sullivan, L. A. and Trachenko, K. and Bruin, R. P. and White, T. O. H. and Dove, M. T. and Tyer, R. P. and Todorov, I. T. and Wells, S. A. (2007) Origin of the compressibility anomaly in amorphous silica. Journal of Physics: Condensed Matter, 19 (275210). p. 275210. DOI 10.1088/0953-8984/19/27/275210

Todorov, I. T. and Allan, N. L. and Purton, J. A. and Dove, M. T. and Smith, W. (2007) Use of massively parallel molecular dynamics simulations for radiation damage in pyrochlores. Journal of Materials Science, 42 (6). pp. 1920-1930. DOI 10.1007/s10853-006-1323-x

April 2006

Todorov, I. T. and Smith, W. and Trachenko, K. and Dove, M. T. (2006) DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism. Journal of Materials Chemistry, 16 (20). pp. 1911-1918. DOI 10.1039/b517931a

2006

Walker, A. M. and Dove, M. T. and Sullivan, L. A. and Trachenko, K. and Bruin, R. P. and White, T. O. H. and Murray-Rust, P. and Tyer, R. P. and Couch, P. A. and Todorov, I. T. and Smith, W. and Kleese van Dam, K. (2006) Anatomy of a grid-enabled molecular simulation study: the compressibility of amorphous silica. In: Proceedings of the UK e-Science All Hands Meeting 2006. UK e-Science, pp. 653-660. ISBN 0955398800

White, T. O. H. and Murray-Rust, P. and Couch, P. A. and Tyer, R. P. and Bruin, R. P. and Todorov, I. T. and Wilson, D. J. and Dove, M. T. and Austen, K. F. and Parker, S. C. (2006) Application and uses of CML within the eMinerals project. In: Proceedings of the UK e-Science All Hands Meeting 2006. National eScience Centre, pp. 606-613. ISBN 0955398800

Trachenko, K. and Todorov, I. T. and Dove, M. T. and Artacho, E. and Smith, B. (2006) Atomistic simulations of resistance to amorphization by radiation damage. Physical Review B, 73. p. 174207. DOI 10.1103/PhysRevB.73.174207

Tyer, R. P. and Couch, P. A. and Kleese van Dam, K. and Todorov, I. T. and Bruin, R. P. and White, T. O. H. and Walker, A. M. and Austen, K. F. and Dove, M. T. and Blanchard, M. O. (2006) Automatic metadata capture and grid computing. In: Proceedings of the UK e-Science All Hands Meeting 2006. National eScience Centre, pp. 381-384. ISBN 0955398800

Bruin, R. P. and White, T. O. H. and Walker, A. M. and Austen, K. F. and Dove, M. T. and Tyer, R. P. and Couch, P. A. and Todorov, I. T. and Blanchard, M. O. (2006) Job submission to grid computing environments. In: Proceedings of the UK e-Science All Hands Meeting 2006. National eScience Centre, pp. 754-761. ISBN 0955398800

Dove, M. T. and Sullivan, L. A. and Walker, A. M. and Bruin, R. P. and White, T. O. H. and Trachenko, K. and Murray-Rust, P. and Todorov, I. T. and Tyer, R. P. and Couch, P. A. and Kleese van Dam, K. and Smith, W. (2006) Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within the eMinerals escience project. Molecular Simulation, 32 (12-13). pp. 945-952. DOI 10.1080/08927020600883293

Todorov, I. T. and Purton, J. A. and Allan, N. L. and Dove, M. T. (2006) Simulation of radiation damage in gadolinium pyrochlores. Journal of Physics: Condensed Matter, 18. pp. 2217-2234. DOI 10.1088/0953-8984/18/7/010

Du, Z. and Alexander, V. N. and Alfredsson, M. and Artacho, E. and Austen, K. F. and Bennett, N. D. and Blanchard, M. and Brodholt, J. P. and Bruin, R. P. and Catlow, C. R. A. and Chapman, C. and Cooke, D. J. and Cooper, T. G. and Dove, M. T. and Emmerich, W. and Hasan, S. M. and Kerisit, S. and de Leeuw, N. H. and Lewis, G. J. and Marmier, A. and Parker, S. C. and Price, G. D. and Smith, W. and Todorov, I. T. and Tyer, R. and Kleese van Dam, K. and Walker, A. M. and White, T. O. H. and Wright, K. (2006) A virtual research organization enabled by eMinerals minigrid: An integrated study of the transport and immobilisation of arsenic species in the environment. In: Proceedings of the UK e-Science All Hands Meeting 2006. National eScience Centre, pp. 481-488. ISBN 0955398800

This list was generated on Tue Mar 28 14:31:04 2017 BST.

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