Volume 8, Number 4, 243-253, DOI: 10.1007/s10586-005-4092-4

A Collaborative Informatics Infrastructure for Multi-Scale Science

James D. Myers, Thomas C. Allison, Sandra Bittner, Brett Didier, Michael Frenklach, William H. Green, Yen-Ling Ho, John Hewson, Wendy Koegler and Carina Lansing, et al.

From the issue entitled "Special Issue: Challenges of Large Applications in Distributed Environments"

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Abstract

The Collaboratory for Multi-scale Chemical Science (CMCS) is developing a powerful informatics-based approach to synthesizing multi-scale information in support of systems-based research and is applying it within combustion science. 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.

Keywords  collaboratory - knowledge grid - provenance - multi-scale data - system science - community data - cyberenvironment

James D. Myers received his B.A. in Physics from Cornell University in 1985 and his Ph.D. in Chemistry from the University of California at Berkeley in 1993. He is currently the Associate Director for Collaborative Technologies at the National Center for Supercomputing Applications (NCSA) at the University of Illinois, Urbana Champaign. Dr. Myers is the lead investigator on the U.S. Department of Energy (DOE) sponsored Scientific Annotation Middleware project (http://www.scidac.org/SAM/) (scientific content management, semantic annotation, and records functionality) and is serving as the Chief Technical Officer for the DOE-sponsored Collaboratory for Multiscale Chemical Science (CMCS) project. His is also the lead architect for the Mid-America Earthquake Center's MAEViz hazard risk management collaboratory and co-lead of NCSA's Collaborative Large-scale Engineering Analysis Network for Environmental Research (CLEANER) related cybercollaboratory effort. Open source software developed by Dr. Myers and his colleagues including the electronic laboratory notebook (ELN) and the Collaborative Research Environment (CORE) real-time collaboration environment have been downloaded from the Pacific Northwest National Laboratory (PNNL) Collaboratory website (http://collaboratory.pnl.gov) by thousands of researchers and educators. Due to space limitations, individual bios for all 28 authors are not shown. The CMCS project is led by Dr. Larry Rahn (rahn@sandia.gov) at Sandia National Laboratories. The team includes combustion researchers and computer science researchers and developers at five DOE National Laboratories (Argonne, Lawrence Livermore, Los Alamos, Pacific Northwest, and Sandia National Laboratories), the National Institute of Standards and Technology, Massachusetts Institute of Technology, and the University of California, Berkeley. Current contact information and biographic information for team members is available at http://cmcs.org/team.php.

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