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A collaborative informatics infrastructure for multi-scale scienceby: J. D. Myers, T. C. Allison, S. Bittner, B. Didier, M. Frenklach, W. H. Green, Y. L. Ho, J. Hewson, W. Koegler, L. Lansing, D. Leahy, M. Lee, R. Mccoy, M. Minkoff, Sandeep Nijsure, G. von Laszewski, D. Montoya, C. Pancerella, R. Pinzon, W. Pitz, L. A. Rahn, B. Ruscic, K. Schuchardt, E. Stephan, A. Wagner, T. Windus, C. Yang
Challenges of Large Applications in Distributed Environments, 2004. CLADE 2004. Proceedings of the Second International Workshop on (2004), pp. 24-33.
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AbstractThe collaboratory for multiscale chemical science (CMCS) is developing a powerful informatics-based approach to synthesizing multiscale information to support a systems-based research approach and is applying it in support of combustion research. An open source multiscale informatics toolkit is being developed that addresses a number of issues core to the emerging concept of knowledge grids including provenance tracking and lightweight federation of data and application resources into cross-scale information flows. The CMCS portal is currently in use by a number of high-profile pilot groups and is playing a significant role in enabling their efforts to improve and extend community maintained chemical reference information.
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