SIMDAT Data Grids for Process and Product Development using Numerical Simulation and Knowledge Discovery Richard Kamuzinzi Université Libre de Bruxelles – Bioinformatics June, 17th 2006 (Scientific Meeting – Helsinki)

SIMDAT Facts IST GRID Project 4 years Start date: September 1st partners

Scope Product and Process Development (automobiles, aircraft, drugs, meteorological services) is –Complex –Involves several independent organizations at different locations Industrial environment: process are further complicated by external factors (financial pressure => share risk)

Strategic objectives to test and enhance Data Grid technology for product development and production process design, to develop federated versions of problem-solving environments by leveraging enhanced Grid services, to exploit Data Grids as a basis for distributed knowledge discovery, to promote defacto standards for these enhanced Grid technologies across a range of disciplines and sectors as well as to raise awareness of the advantages of Data Grids in important industrial sectors

Project organization NEC, GSK, Inpharmatica, ULB, Fhg SCAI-Bio, UKA, Biowisdom

Driving scenarios (user perspective) Need to order for services on contract-based business process Need to specify execution constraints on top of the order (SLA – Service Level Agreement) Request for IP (Intellectual property) preservation during the transaction flow Contract Constraints

Driving scenarios (service provider perspective) Need to comply to SLA-based service provision Need to conform on the AAA model (AutN, AutZ, Accounting) for resources access Need to manage resources to be able to prioritize jobs execution Need to contract with third-party suppliers of services

Driving scenarios (example) Budget holder GSK Budget holder Slovakia Scientist EMBNet-expert Sweden EMBNet-expert Finland R R Grant access to opened account Grant access Make consultancy Dynamic access control CONTRACT R 1 2 Budget holder ULB 3 Open account 4 Launch analysis accounting 5 Financial officer ULB checks 6

Technologies to consider Standards (Web Services, WS-I, …) Dynamic access control technics to deal with VO (virtual organization) Federated PsE (Problem Solving Environment) Ontologies (pragmatic approach vs. generic approach) Workflows (composition and enactments in GRID environment) GRIA (Grid resources for industrial applications)

Pharma – First year achievement

Expected outcomes (ULB perspective) SIMDAT will provide technologies To support the academia/industry collaborations in R&D activities To build an EMBnet VO to exploit the multiple knowledge spread among members To rationalize the management of resources (financial pressure)

Thank you !