A Collaborative Informatics Infrastructure for Multi-scale Science

Conference · Sat Mar 27 23:00:00 EST 2004

OSTI ID:15009475

Myers, James D; Allison, Thomas C; Bittner, Sandra; Didier, Brett T; Frenklach, Michael; Green, William H; Ho, Yen-Ling; Hewson, John; Koegler, Wendy S; Lansing, Carina S; Leahy, David; Lee, Michael; McCoy, Renata; Minkoff, Michael; Nijsure, Sandeep; von Laszewski, Gregor; Montoya, David W; Pancerella, Carmen M; Pinzon, Reinhardt; Pitz, William ; Rahn, Larry; Ruscic, Branko; Schuchardt, Karen L; Stephan, Eric G; Wagner, Albert F; Windus, Theresa L; Yang, Christine

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.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 15009475
• Report Number(s): PNNL-SA-40934; KJ0102000
• Country of Publication: United States
• Language: English