enabling e-research in combustion research community
DESCRIPTION
Enabling e-Research in Combustion Research Community. T.V Pham 1 , P.M. Dew 1 , L.M.S. Lau 1 and M.J. Pilling 2 1 School of Computing 2 School of Chemistry University of Leeds. Outline. Combustion research community Research focus and process Current limitations and issues Requirements - PowerPoint PPT PresentationTRANSCRIPT
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Enabling e-Research in Combustion Research Community
T.V Pham1, P.M. Dew1, L.M.S. Lau1 and M.J. Pilling2
1School of Computing
2School of Chemistry
University of Leeds
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Outline
• Combustion research community
– Research focus and process
– Current limitations and issues
– Requirements
• The Collaborative e-Science Architecture
• Early user evaluation results
• Application of the Collaborative e-Science Architecture to combustion research community
• Future work
• Conclusions
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Combustion Research Community
• The central focus is on modelling of chemical reaction mechanisms
• Consist of members from around the world
• Related to reaction kinetics and atmospheric research communities
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3-Stage Modelling Process in Combustion Research
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Limitations and Issues
• Data necessary for generation of new models are scattered in the community
• Lack of coordination across research groups making the gathering and evaluation of data more difficult
• Use of many different custom built data formats
• Need support for computational capability
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Requirements from Combustion Research Community
• A collaborative infrastructure to support their distributed collaborations
• Allow scientists who are working on the same or similar research activities to dynamically form working groups
• Provide efficient support for timely collaborations within and across working groups
– Sharing expert knowledge, day-to-day working data to speed up the data collection and evaluation process.
• Provide easy access to computational intensive resources
– Time and resource consuming simulations and analyses
– Storage of large amount of experimental data.
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Grids & Web-based Portal Approach
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The Collaborative e-Science Architecture (CeSA) - Goals
• To be scalable with respect to decentralised nature of scientific communities.
• Able to support scientific collaborations at different levels of granularity
• Able to provide access and enables back-end computationally intensive resources for complex computation and storage requirements.
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The Collaborative e-Science Architecture (CeSA)
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Potentials of P2P Computing
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CeSA Service Oriented Architecture
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GridOGSA Services
Computation and Date ResourcesChemical Reaction Data Library
Application Specific ServicesWG Service
(e.g. security) Modelling Services Data Services
P2P
Model Repository
UserCommunity node (e.g. modeler, end-user, scientist
c
Data nodee.g. experimentalistdata curator
D
Workgroupcoordinator WG
Collaborative Presentation and Interaction
i/o
Input/Output
Collaborative P2P Middleware
Service ClientCommunity &
Communication
Resource Manager(sharing, discovery, annotation
classification ontology )
Core P2P Services (e.g. security, Identigation & connectivity)
CeSA System Architecture
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Ontology-based Adaptive Approach to Resource Discovery
• For resource discovery in the P2P collaborative environment of the CeSA
• Provide an efficient mechanism for query routing by exploiting user interests
– Try to forwards search queries to peers that most likely to have the answers
• Use ontology for classification of user interests
• Learn from past query results to know other peers’ interests in order to adaptively route query
• Simulation results showed significant improvement over the basic flooding approach
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Early User Evaluation
• A prototype instance of the CeSA was built using JXTA P2P platform and Globus Toolkit version 3
• A number of simulation programs in for chemical reaction mechanism were wrapped into Grid Services
• The prototype was evaluated by potential users from reaction kinetics research group at The University of Leeds
• Initial results were positive:
– “A fully working system would benefit the atmospheric chemistry group provided it was widely accepted by the whole community”
– “I think that our group would certainly use such a system if it proved to be the way forward in e-Science (which I feel it is) and the community embraced the use of such a system”
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Application of the CeSA to Combustion Research Community
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Addressing the Limitations and Issues
• Making scattered data easily accessible through P2P resource discovery
• Identifying expertise for potential collaborations through P2P collaborative environment
• Supporting the modelling process with computational and data resources from the Grid environments using Grid/Web Services.
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Conclusions and Future Work
• Early user evaluation has confirmed the potential of the CeSA, particular on the use of P2P collaborative environment to support distributed scientific collaborations
• CeSA can also potentially be used for the combustion research community, which is closely related to the reaction kinetics community
• Further user evaluation of the CeSA on the combustion research community is being planned
• Further work is also necessary on the management of ontology in the P2P environment
• Research on technical qualities include security, connectivity and scalability of resource discovery of P2P application.