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Number of items: 22.

March 2013

Yang, Xiaoyu and Dove, Martin T. and Bruin, Richard P. and Walkingshaw, Andrew and Sinclair, Richard and Wilson, Dan J. and Murray-Rust, Peter (2013) An e-Science data infrastructure for simulations within Grid computing environment: methods, approaches and practice. Concurrency and Computation: Practice and Experience, 25 (3). pp. 385-409. DOI 10.1002/cpe.2849

July 2010

Yang, Xiaoyu and Bruin, Richard P. and Dove, Martin T. and Walkingshaw, Andrew and Mortimer-Jones, Thomas V. and Sinclair, Richard and Wilson, Dan J. and Milman, Victor and Donovan, Tim (2010) A Service-Oriented Framework for Running Quantum Mechanical Simulations of Material Properties in a Grid Environment. IEEE Transactions on Systems, Man, and Cybernetics, Part C (Applications and Reviews), 40 (4). pp. 485-490. ISSN ISSN: 1094-6977 DOI 10.1109/TSMCC.2010.2040826

May 2010

Yang, Xiaoyu and Bruin, R. P. and Dove, M. T. (2010) Developing an End-to-End Scientific Workflow:. Computing in Science and Engineering, 12 (3). pp. 52-61. DOI 10.1109/MCSE.2010.61

March 2009

Walker, A. M. and Bruin, R. P. and Dove, M. T. and White, T. O. H. and Kleese van Dam, K and Tyer, R.P (2009) Integrating computing, data and collaboration grids: the RMCS tool. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 367 (1890). pp. 1047-1050. DOI 10.1098/rsta.2008.0159

White, T. O. H. and Bruin, R. P. and Chiang, G. T. and Dove, M. T. and Tyer, R. P. and Walker, A. M. (2009) Lessons in scientific data interoperability: XML and the eMinerals project. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 367 (1890). pp. 1041-1046. DOI 10.1098/rsta.2008.0175

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

August 2008

Walker, A. M. and Tyer, R. and Bruin, R. P. and Dove, M. T. (2008) The compressibility and high pressure structure of diopside from first principles simulation. Physics and Chemistry of Minerals, 35 (7). pp. 359-366. ISSN 0342-1791 (Print) 1432-2021 (Online) DOI 10.1007/s00269-008-0229-3

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

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

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

Chapman, C. and Walker, A. M. and Calleja, M. and Bruin, R. P. and Dove, M. T. and Emmerich, W. (2006) Simple Grid Access using the Business Process Execution Language. In: Proceedings of the UK e-Science All Hands Meeting 2006. UK e-Science, pp. 377-380. ISBN 0955398800

Austen, K. F. and White, T. O. H. and Bruin, R. P. and Dove, M. T. and Artacho, E. and Tyer, R. P. (2006) Using eScience to calibrate our tools: parameterisation of quantum mechanical calculations with grid technologies. In: Proceedings of the UK e-Science All Hands Meeting 2006. UK e-Science, pp. 645-652. ISBN 0955398800

White, T. O. H. and Tyer, R. P. and Bruin, R. P. and Dove, M. T. and Austen, K. F. (2006) A lightweight, scriptable, web-based frontend to the SRB. In: Proceedings of the UK e-Science All Hands Meeting 2006. National eScience Centre, pp. 209-216. ISBN 0955398800

2005

Bruin, R. P. and Dove, M. T. and Calleja, M. and Tucker, A. G. (2005) Building and managing the eMinerals clusters: A case study in grid-enabled cluster operation. Computing in Science & Engineering, 7 (6). pp. 30-37. DOI 10.1109/MCSE.2005.116

Calleja, M. and Bruin, R. and Tucker, M. G. and Dove, M. T. and Tyer, R. and Blanshard, L. and van Dam, K. K. and Allan, R. J. and Chapmans, C. and Emmerich, W. and Wilson, P. and Brodholt, J. and Thandavan, A. and Alexandrov, V. N. (2005) Collaborative grid infrastructure for molecular simulations: The eMinerals minigrid as a prototype integrated compute and data grid. Molecular Simulation, 31 (5). pp. 303-313. DOI 10.1080/08927020500067195

Alfredsson, M. and Brodholt, J. P. and Wilson, P. B. and Price, G. D. and CorĂ , F. and Calleja, M. and Bruin, R. P. and Blanshard, L. J. and Tyer, R. P. (2005) Structural and magnetic phase transitions in simple oxides using hybrid functionals. Molecular Simulation, 31 (5). pp. 367-377. DOI 10.1080/08927020500066684

Chapman, C. and Wakelin, J. and Artacho, E. and Dove, M. T. and Calleja, M. and Bruin, R. and Emmerich, W. (2005) Workflow issues in atomistic simulations. Molecular Simulation, 31 (5). pp. 323-328. DOI 10.1080/08927020500065223

Dove, M. T. and Calleja, M. and Bruin, R. and Wakelin, J. and Tucker, M. G. and Lewis, G. J. and Mehmood Hasan, S. and Alexandrov, V. N. and Keegan, M. and Ballard, S. and Tyer, R. P. and Todorov, I. and Wilson, P. B. and Alfredsson, M. and Price, G. D. and Chapman, C. and Emmerich, W. and Wells, S. A. and Marmier, A. and Parker, S. C. and Du, Z. (2005) The eMinerals collaboratory: tools and experience. Molecular Simulation, 31 (5). pp. 329-337. DOI 10.1080/08927020500066163

This list was generated on Sun Mar 26 18:01:01 2017 BST.

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