Edition 14 Autumn - Winter 2005 Simpleware: From 3D image to mesh in minutes www .csar.cfs.ac.uk Contacts CSAR Helpdesk Telephone: 0161 275 5997 / 275 6824 Fax: 0161 275 6800 Email:
[email protected] Terry Hewitt Deputy Director, Manchester Computing, University of Manchester Telephone: 0161 275 6095 Fax: 0161 275 6800 Email:
[email protected] Dr Mike Pettipher Head of Scientific Computing Services, Manchester Computing, University of Manchester Telephone: 0161 275 6063 Fax: 0161 275 6800 Email:
[email protected] Claire Green Editor of CSAR Focus, Research Support Services, Manchester Computing, University of Manchester Telephone: 0161 275 5997 Fax: 0161 275 6800 Email:
[email protected] Copyright All pictures are reproduced by permission. Any further reproduction will require the owner’s permission. Disclaimer Articles are the responsibility of the individual author. The Editor, CSAR and the University of Manchester assume no responsibility or liability for articles or information appearing in this publication. Opinions expressed in some articles may not reflect those of CSAR. Contents 3. Editorial 4. New consortium aims to give the UK a world lead in research using High Performance Computing 5. Heterogeneous catalysis at the molecular Level 8. Teaching Newton to speak: using CSAR services to speed the training of a neural network that models human language processing Page 10 10. World’s largest Altix deployment tackles real-world challenges 12. Newton as a single system 13. Simpleware: From 3D image to mesh in minutes 16. Grid Enabled Interactive Molecular Dynamics Simulations 19. Integrated Parallel Rendering for AVS/Express 22.