Scientific Grid computing

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 363, Issue 1833, 2005, Pages 1707-1713

  Coveney, Peter V ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Computational science; Computational steering; Grid computing; Middleware

Indexed keywords

EID: 25144514551     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2005.1632     Document Type: Review

References (26)

1. Beckman, P. H. 2005 Building the TeraGrid. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1602.)
2. Berners-Lee, T. 1999 Weaving the web. The original design and ultimate destiny of the World Wide Web. New York: HarperCollins.
3. Gates, M. E., Desplat, J.-C., Stansell, P., Wagner, A. J., Stratford, K., Adhikari, R. & Pagonabarraga, I. 2005 Physical and computational scaling issues in lattice Boltzmann simulations of binary fluid mixtures. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1619.)
4. Chin, J. & Coveney, P. V. 2004 Towards tractable toolkits for the Grid: a plea for lightweight, usable middleware. UK e-Science Technical Report, number UkeS-2004-01. http://www.nesc.ac.uk/technical_papers/UKeS-2004-01.pdf.
5. Coveney, P. V. & Fowler, P. W. 2005 Modelling biological complexity: a physical scientist's perspective. J. R. Soc. Interface. (doi:10.1098/rsif. 2005.0045.)
6. Coveney, P., Vicary, J., Chin, J. & Harvey, M. 2005 Introducing WEDS: a WSRF-based environment for distributed simulation. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1608.)
7. Delgado-Buscalioni, R., Coveney, P. V., Riley, G. D. & Ford, R. 2005 Hybrid molecular-continuum fluid models: implementation within a general coupling framework. Phil. Trans. R. Soc. A 363. (doi: 10.1098/rsta.2005.1623.)
8. Eickermann, T., Frings, W., Gibbon, P., Kirtchakova, L., Mallmann, D. & Visser, A. 2005 Steering UNICORE applications with VISIT. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1615.)
9. Finn, L. I., Boghosian, B. M. & Kottke, C. N. 2005 Vortex core identification in viscous hydrodynamics. Phil Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1620.)
10. Fowler, P. W., Jha, S. & Coveney, P. V. 2005 Grid-based steered thermodynamic integration accelerates the calculation of binding free energies. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1625.)
11. Gagliardi, F., Jones, B., Grey, F., Bégin, M.-E. & Heikkurinen, M. 2005 Building an infrastructure for scientific grid computing: status and goals of the EGEE project. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1603.)
12. Gavaghan, D. J., Simpson, A. C., Lloyd, S., Mac Randal, D. F. & Boyd, D. R. S. 2005 Towards a Grid infrastructure to support integrative approaches to biological research. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1610. )
13. Giordanetto, F., Fowler, P. W., Saqi, M. & Coveney, P. V. 2005 Large scale molecular dynamics simulation of native and mutant dihydropteroate synthase-sulphanilamide complexes suggests the molecular basis for dihydropteroate synthase drug resistance. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1629.)
14. Haines, R., McKeown, M., Pickles, S. M., Pinning, R. L., Porter, A. R. & Riding, M. 2005 The service architecture of the teragyroid experiment. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1604.)
15. Harting, J., Chin, J., Venturoli, M. & Coveney, P. V. 2005 Large-scale lattice Boltzmann simulations of complex fluids: advances through the advent of computational Grids. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1618.)
16. Hein, J., Reid, F., Smith, L., Bush, I., Guest, M. & Sherwood, P. 2005 On the performance of molecular dynamics applications on current high-end systems. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1624.)
17. Kalawsky, R. S., O'Brien, J. & Coveney, P. V. 2005 Improving scientists' interaction with complex computational-visualization environments based on a distributed Grid infrastructure. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1616.)
18. Kalawsky, R. S., Nee, S. P., Holmes, I. & Coveney, P. V. 2005 A Grid enabled lightweight computational steering client: a .NET PDA implementation. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1617.)
19. Kenny, S. D., Mulliah, D., Sanz-Navarro, C. F. & Smith, R. 2005 Molecular dynamics simulations of nanoindentation and nanotribology. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1621.)
20. Mason, D. R. & Sutton, A. P. 2005 Computational steering in Monte Carlo simulations of thin film polystyrene. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1622.)
21. Mayes, K. R., Luján, M., Riley, G. D., Chin, J., Coveney, P. V. & Gurd, J. R. 2005 Towards performance control on the Grid. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1607.)
22. Pickles, S. M., Haines, R., Pinning, R. L. & Porter, A. R. 2005 A practical toolkit for computational steering. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1611.)
23. Rousay, E. R., Fu, H., Robinson, J. M., Essex, J. W. & Frey, J. G. 2005 Grid-based dynamic electronic publication: a case study using combined experiment and simulation studies of crown ethers at the air - water interface. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1630.)
24. Tai, K. et al. 2004 BioSimGrid: towards a worldwide repository for biomolecular simulations. Org. Biomol. Chem. 2, 3219-3221. (doi:10.1039/ b411352g.)
25. Wan, S., Coveney, P. V. & Flower, D. R. 2005 Peptide recognition by the T cell receptor: comparison of binding free energies from thermodynamic integration, Poisson-Boltzmann and linear interaction energy approximations. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1627.)
26. Woods, C. J. et al. 2005 Grid computing and biomolecular simulation. Phil. Trans. R. Soc. A 363. (doi:10.1098/rsta.2005.1626.)