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Publications

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2010
B. Dobrzelecki, Krause, A., Hume, A. C., Grant, A., Antonioletti, M., Alemu, T. Y., Atkinson, M., Jackson, M., and Theocharopoulos, E., “Integrating distributed data sources with OGSA--DAI DQP and Views”, Philosophical Transactions A, vol. 368, p. 4133--4145, 2010.
C. A. Morrison, Robertson, N., Turner, A., van Hemert, J., and Koetsier, J., “Molecular Orbital Calculations of Inorganic Compounds”, in Inorganic Experiments, 3rd ed., D. J. Woollins, Ed. Wiley-VCH, 2010, p. 261--267.
M. Wewior, Packschies, L., Blunk, D., Wickeroth, D., Warzecha, K., Herres-Pawlis, S., Gesing, S., Breuers, S., Krüger, J., Birkenheuer, G., and Lang, U., “The MoSGrid Gaussian Portlet – Technologies for the Implementation of Portlets for Molecular Simulations”, in Proceedings of the International Workshop on Science Gateways (IWSG10), 2010.
D. Rodríguez, Carpenter, T. K., van Hemert, J. I., and Wardlaw, J. M., “An open source toolkit for medical imaging de-identification”, European Radiology, vol. 20, no. 8, p. 1896--1904, 2010.
A. Tichopad, Bar, T., Pecen, L., Kitchen, R. R., Kubista, M., and Pfaffl, M. W., “Quality control for quantitative PCR based on amplification compatibility test”, Methods, vol. 50, no. 4, pp. 308-312 , 2010.
D. A. Bacigalupo, van Hemert, J., Usmani, A., Dillenberger, D. N., Wills, G. B., and Jarvis, S. A., “Resource management of enterprise cloud systems using layered queuing and historical performance models”, in IEEE International Symposium on Parallel Distributed Processing, 2010, p. 1--8.
R. R. Kitchen, Kubista, M., and Tichopad, A., “Statistical aspects of quantitative real-time PCR experiment design”, Methods, vol. 50, no. 4, pp. 231-236, 2010.
S. Gesing, van Hemert, J., Koetsier, J., Bertsch, A., and Kohlbacher, O., “TOPP goes Rapid”, in Cluster Computing and the Grid, IEEE International Symposium on, Los Alamitos, CA, USA, 2010, p. 598--599.
C. S. Liew, Atkinson, M. P., van Hemert, J., and Han, L., “Towards Optimising Distributed Data Streaming Graphs using Parallel Streams”, in Data Intensive Distributed Computing (DIDC'10), in conjunction with the 19th International Symposium on High Performance Distributed Computing, Chicago, Illinois, 2010, pp. 725-736.
K. Smith-Miles, van Hemert, J., and Lim, X., “Understanding TSP Difficulty by Learning from Evolved Instances”, in Lecture Notes in Computer Science, 2010, vol. 6073, pp. 266-280.
S. Gesing, Marton, I., Birkenheuer, G., Schuller, B., Grunzke, R., Krüger, J., Breuers, S., Blunk, D., Fels, G., Packschies, L., Brinkmann, A., Kohlbacher, O., and Kozlovszky, M., “Workflow Interoperability in a Grid Portal for Molecular Simulations”, in Proceedings of the International Workshop on Science Gateways (IWSG10), 2010.
2009
P. Brezany, Janciak, I., Woehrer, A., Aranda, C. B., Atkinson, M., and van Hemert, J., “ADMIRE D1.5 – Report defining an iteration of the model and language: PM3 and DL3”, ADMIRE project, 2009.
A. Voss, Asgari-Targhi, M., Procter, R., Halfpenny, P., Fragkouli, E., Anderson, S., Hughes, L., Fergusson, D., Vander Meer, E., and Atkinson, M., “Adoption of e-Infrastructure Services: inhibitors, enablers and opportunities”, in 5th International Conference on e-Social Science, Maternushaus, Cologne, 2009.
M. Atkinson, Brezany, P., Corcho, O., Han, L., van Hemert, J., Hluchy, L., Hume, A., Janciak, I., Krause, A., Snelling, D., and Wöhrer, A., “Advanced Data Mining and Integration Research for Europe”, in All Hands Meeting 2009, Oxford, 2009.
L. Han, van Hemert, J., Baldock, R., and Atkinson, M. P., “Automating Gene Expression Annotation for Mouse Embryo”, in Lecture Notes in Computer Science (Advanced Data Mining and Applications, 5th International Conference), 2009, vol. LNAI 5678, pp. 469-478.
A. Barker, Weissman, J., and van Hemert, J. I., “The Circulate Architecture: Avoiding Workflow Bottlenecks Caused By Centralised Orchestration”, Cluster Computing, vol. 12, p. 221--235, 2009.
R. Filgueira, Singh, D. E., Calderón, A., and Carretero, J., “CoMPI: Enhancing MPI Based Applications Performance and Scalability Using Run-Time Compression.”, in EUROPVM/MPI 2009.Espoo, Finland. September 2009, Espoo. Finland, 2009, vol. 5759/2009.
P. V. Coveney and Atkinson, M. P., “Crossing boundaries: computational science, e-Science and global e-Infrastructure I”, All Hands meeting 2008, vol. 367. Royal Society Publishing, Edinburgh, pp. 2423-2617, 2009.
P. V. Coveney and Atkinson, M. P., “Crossing boundaries: computational science, e-Science and global e-Infrastructure II”, All Hands Meeting 2008, vol. 367. Royal Society Publishing, Edinburgh, pp. 2619-2806, 2009.
A. Tichopad, Kitchen, R., Riedmaier, I., Becker, C., Stahlberg, A., and Kubista, M., “Design and Optimization of Reverse-Transcription Quantitative PCR Experiments”, Clin Chem, p. clinchem.2009.126201, 2009.
M. P. Atkinson, van Hemert, J., Han, L., Hume, A., and Liew, C. S., “A Distributed Architecture for Data Mining and Integration”, in Data-Aware Distributed Computing (DADC'09), in conjunction with the 18th International Symposium on High Performance Distributed Computing, 2009, pp. 11-20.
A. Barker, van Hemert, J. I., Baldock, R. A., and Atkinson, M. P., “An e-Infrastructure for Collaborative Research in Human Embryo Development”, 2009.
A. Barker, van Hemert, J. I., Baldock, R. A., and Atkinson, M. P., “An E-infrastructure to Support Collaborative Embryo Research”, in Cluster Computing and the Grid, 2009, p. 520--525.
J. I. van Hemert and la Poutré, J. A., “Exploiting Fruitful Regions in Dynamic Routing using Evolutionary Computation”, in Studies in Computational Intelligence , vol. 161, F. Pereira Babtista and Tavares, J., Eds. Springer, 2009, p. 131--149.
J. I. van Hemert and Koetsier, J., “Giving Computational Science a Friendly Face”, Zero-In, vol. 1, no. 3, p. 12--13, 2009.

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