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Second International Workshop on Challenges of Large Applications in Distributed Environments
A Collaborative Informatics Infrastructure for Multi-scale Science
Honolulu, Hawaii
June 07-June 07
ISBN: 0-7695-2115-0
James D. Myers, Pacific Northwest National Laboratory, Richland, WA
Thomas C. Allison, NIST, Gaithersburg, MD
Sandra Bittner, Argonne National Laboratory, Argonne, IL
Brett Didier, Pacific Northwest National Laboratory, Richland, WA
Michael Frenklach, University of California, Berkeley, CA
William H. Green, Jr., NIST, Gaithersburg, MD
Yen-Ling Ho, Los Alamos National Laboratory, Los Alamos, NM
John Hewson, Sandia National Laboratories, Livermore, CA
Wendy Koegler, Sandia National Laboratories, Livermore, CA
Carina Lansing, Argonne National Laboratory, Argonne, IL
David Leahy, Sandia National Laboratories, Livermore, CA
Michael Lee, Sandia National Laboratories, Livermore, CA
Renata McCoy, Pacific Northwest National Laboratory, Richland, WA
Michael Minkoff, Argonne National Laboratory, Argonne, IL
Sandeep Nijsure, Argonne National Laboratory, Argonne, IL
Gregor von Laszewski, Argonne National Laboratory, Argonne, IL
David Montoya, Los Alamos National Laboratory, Los Alamos, NM
Carmen Pancerella, Sandia National Laboratories, Livermore, CA
Reinhardt Pinzon, Argonne National Laboratory, Argonne, IL
William Pitz, Lawrence Livermore National Laboratory, Livermore, CA
Larry A. Rahn, Sandia National Laboratories, Livermore, CA
Branko Ruscic, Argonne National Laboratory, Argonne, IL
Karen Schuchardt, Pacific Northwest National Laboratory, Richland, WA
Eric Stephan, Pacific Northwest National Laboratory, Richland, WA
Al Wagner, Argonne National Laboratory, Argonne, IL
Theresa Windus, Pacific Northwest National Laboratory, Richland, WA
Christine Yang, Sandia National Laboratories, Livermore, CA
The Collaboratory for Multi-scale Chemical Science (CMCS) is developing a powerful informatics-based approach to synthesizing multi-scale information to support a systems-based research approach and is applying it in support of combustion research. An open source multi-scale 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.
Citation:
James D. Myers, Thomas C. Allison, Sandra Bittner, Brett Didier, Michael Frenklach, William H. Green, Jr., Yen-Ling Ho, John Hewson, Wendy Koegler, Carina Lansing, David Leahy, Michael Lee, Renata McCoy, Michael Minkoff, Sandeep Nijsure, Gregor von Laszewski, David Montoya, Carmen Pancerella, Reinhardt Pinzon, William Pitz, Larry A. Rahn, Branko Ruscic, Karen Schuchardt, Eric Stephan, Al Wagner, Theresa Windus, Christine Yang, "A Collaborative Informatics Infrastructure for Multi-scale Science," clade, pp.24, Second International Workshop on Challenges of Large Applications in Distributed Environments, 2004
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