1. E-Science: Achievements, Challenges and new Opportunities Supercomputing 06 UK e-Science Stand Malcolm Atkinson Director e-Science Institute & e-Science Envoy www.nesc.ac.uk 13 th November 2006

2. Overview Celebrate Five Years of Success Three Great Strengths Established Welcome New Projects E-Science: Systematic Support for Collaborative Research Multi-disciplinary, Multi-Site & Multi-National All disciplines contribute & benefit Enabling wider engagement Building with advances in Computing Science

3. Foundation for e-Science sensor nets Shared data archives computers software colleagues instruments Grid e-Science methodologies will rapidly transform science, engineering, medicine and business driven by exponential growth (×1000/decade) enabling a whole-system approach Diagram derived from Ian Fosters slide

4. Staff costs - Grid Resources Computers & Network funded separately EPSRC Breakdown UK e-Science Budget (2001-2006) Source: Science Budget 2003/4 – 2005/6, DTI(OST) Total: £213M + Industrial Contributions £25M + £100M via JISC Slide from Steve Newhouse

5. Commitment to e-Infrastructure A shared resource That enables science, research, engineering, medicine, industry, … It will improve UK / European / … productivity Lisbon Accord 2000 e-Science Vision SR2000 – John Taylor Commitment by UK government Sections 2.23-2.25 Always there c.f. telephones, transport, power

6. UK e-Science Success Thriving Community All disciplines & all Research Councils Industry & Academia Many universities & research institutes UK e-Science All Hands Meetings Productive collaboration

7. Workshop 1: Kyra Norman and Orchestra Cube; Photo: Rob Bristow, June 2006 Slide: Angela Piccini

8. National Centre for e-Social Science Colchester University of Essex Lancaster Bristol Leeds University of Manchester Manchester Nottingham London Oxford Aberdeen

9. e-Science Institute Edinburgh We are here Themes Workshops Visitors Summer Schools

10. The Primary Requirement … Encouraging People to Work Together on Challenges: Science, Engineering & Medicine

11. All Hands Meetings

12. UK e-Science Success Significant outputs from projects Research results Commercial impact Outreach and international influence Using GRID Resources Scientific Information Scientific Discover y In Real Time Literatur e Datab ases Operational Data Images Instrument Data Real Time Data Integration Dynamic Application Integration Discovery Services Integrative Knowledge Management Service Workflow

13. DAME http://www.cs.york.ac.uk/dame/ Aims to manage >1Tb per year of Aero Engine vibration and maintenance data. Interlinks with search and reasoning services. Defined and evaluated a distributed search system. GSI enabled secure engine performance simulation CBR advisor for diagnostic engineer A data architecture defined based on Globus and SRB. BROADEN DTI Project (£3.9M) Spun out technology exploited through Cybula Ltd., Oxford Biosignals and DS&S. Successful mid-term demonstrator well received by Rolls Royce White Rose Grid: experience of building & using production Grids In Grid Blue Print 2 edition 2 Jim Austin (Comp Sci, York) 4 Universities and institutes 3 Companies Aircraft healthcare diagnosis

14. climateprediction.net Users Worldwide >300,000 users total (90% MS Windows): >60,000 active ~17 million model-years simulated (as of September '06) ~180,000 completed simulations The world's largest climate modelling supercomputer! (NB: a black dot is one or more computers running climateprediction.net )

15. Construct in silico experiments, find and adapt others, manage the experiment lifecycle Taverna Workflow workbench OGSA-DQP Semantic Technologies Williams-Beuren Syndrome, Graves Disease, Trypanosomiasis in cattle. OMII-UK Node, GRIMOIRE Registry, Taverna Workflow workbench 12000+ Downloads of Taverna Wide transfer to BBSRC (e-Fungi, ISPIDER, ComparaGrid) & MRC projects (PsyGrid, CLEF, CLEFS) Semantic Grid pioneer WBS gene identification Outstanding international links Great deal of open source s/w Links into BOSC & HGMP KT to BT, ComparaGrid, OntoGrid, BBSRC Systems Biology Centre, MIASGrid, Rice Institute etc Carole Goble (Comp Sci, Manchester) 7 Universities and institutes (incl. EBI) 8 Companies Middleware for data intensive in silico biology by bioinformaticians In silico biology http://www.mygrid.org.uk

16. Design, develop and implement an advanced infrastructure to support real-time processing, interpretation, integration, visualization and mining of vast amounts of time critical data generated by high throughput devices. Data mining, text mining Environmental monitoring, bioinformatics InforSense, GSK, Oracle 2003: Discovery Net in Action: Fighting SARS in China 2002: Supercomputing 2002 Most Innovative Data Intensive Application Award 2002: KDD CUP 2002 Scientific Text Mining Awards Yike Guo (Comp Sci, Imperial) 1 university http://www.discovery-on-the.net/ Using GRID Resources Scientific Information Scientific Discover y In Real Time Literatur e Datab ases Operational Data Images Instrument Data Real Time Data Integration Dynamic Application Integration Discovery Services Integrative Knowledge Management Service Workflow High Throughput Informatics

17. UK e-Science Success Reliable e-Infrastructure 24*7 Foundations well established Extending in Function, Scale & Ubiquity NGS E-Science Centres Specialised support centres AHRC Support @ Kings, Text Mining, 2*NERC centres, NCeSS Data Services OMII-UK E-Science Institute DCC JISC Virtual Research Environments JISC e-Framework

18. National Grid Service and partners CCLRC RAL Edinburgh CCLRC Daresbury Manchester Lancaster London Cardiff Bristol Leeds York Sheffield

20. e-Science Centres in the UK Oxford Edinburgh Belfast Cambridge CCLRC Daresbury Manchester London Newcastle Southampton Cardiff CCLRC RAL Glasgow e-Science Centres Leicester London Birmingham Bristol Lancaster Reading e-Science Centres of Excellence Access Grid Support Centre Access Grid Support Centre Digital Curation Centre National Grid Service National Grid Service National Centre for e-Social Science National Centre for e-Social Science National Centre for Text Mining National Centre for Text Mining National Institute for Environmental e-Science National Institute for Environmental e-Science Open Middleware Infrastructure Institute Open Middleware Infrastructure Institute Other centres Coordination & Leadership: NeSC & e-Science Directors Forum Leeds York Sheffield

21. OMII-UK nodes Southampton Manchester University of Manchester School of Electronics and Computer Science University of Southampton School of Electronics and Computer Science University of Southampton Edinburgh EPCC National e-Science Centre EPCC National e-Science Centre

22. Software Provide guidance to the broad UK e-Science community Disseminate your e-Science software to a global community Support Software support and training in using e-Science software Provide collaborative mechanisms to support the community Define, contribute and disseminate best practice and standards Sustainability Provide a best of breed software solution Partner to provide a sustainable future. software and support to enable a sustained future for the UK e-Science community and its international collaborators

23. Digital Curation Centre and partners Glasgow Humanities Advanced Technology and Information Institute Bath UKOLN (formerly UK Office for Library Networking) CCLRC Daresbury CCLRC RAL Rutherford Appleton and Daresbury Laboratories Edinburgh Database Research Group, School of Informatics AHRC Research Centre for Studies in Intellectual Property and Technology Law EDINA National e-Science Centre Database Research Group, School of Informatics AHRC Research Centre for Studies in Intellectual Property and Technology Law EDINA National e-Science Centre

24. Three Strengths Enthusiastic researchers, Many interacting communities & Breadth Projects: Pioneering methods Demonstrating results Infecting academia & Industry e-Infrastructure: Delivering Resources & Services Connecting & Supporting Communities Mutual Dependence & Growth

25. Three New EPSRC Projects CARMEN Understanding the brain – £4.5m – led by Professor Colin Ingram, University of Newcastle upon Tyne neurone 1 neurone 2 neurone 3

26. Geometry variation Strain variation OPC Strain Layout induced variability Technology - design link V out 1 [V] V out 2 [V] Atomistic variability Statistical and novel design Device Circuit malfunctioning variability Three New EPSRC Projects NanoCMOSGrid Designing nano-circuits – £5.2m – led by Professor Asen Asenov at Glasgow University

27. Three New EPSRC Projects PMESG (Pervasive Mobile Environmental Sensor Grids) project Environmental impact of traffic Jointly funded with the Department for Transport the Department for Transport £3.5m – led by Professor John Polak at Imperial College

28. Opportunities Shape Future e-Infrastructure Balance international & local requirements Embrace diversity & maintain consistency Integrate effort & resources Exploit e-Science methods To do new research Using e-Infrastructure Embed in Educational Programmes Creativity & energy of the young Engage Industry & Commerce

29. Thanks to: Those who made UK e-Science happen. Carole Goble, Neil Geddes, Steven Newhouse, Jo Newman & Chris Rusbridge for slides. Alison McCall & Carol Becker for pictures.