Abstract
The Extensible Computational Chemistry Environment (Ecce) is a suite of distributed applications that are integrated as a comprehensive problem solving environment for computational chemistry. Ecce provides scientists with an easily used graphical user interface to the tasks of setting up complex molecular modeling calculations, distributed use of high performance computers, and scientific visualization and analysis. Ecce’s flexible, standards-based architecture is an extensible framework that represents a significant milestone in production systems, both in the field of computational chemistry and problem solving environment research. Its base problem solving architecture components and concepts are applicable to problem solving environments beyond the computational chemistry domain.
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Keywords
- Pacific Northwest National Laboratory
- Computational Code
- Globus Toolkit
- Open Grid Service Architecture
- Calculation Viewer
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References
Web Distributed Authoring and Versioning Protocol, http://www.ietf.org/rfc/rfc2518.txt
Schuchardt, K.L., Myers, J.D., Stephan, E.G.: A Web-Based Data Architecture for Problem-Solving Environments: Application of Distributed Authoring and Versioning to the Extensible Computational Chemistry Environment. Cluster Computing 5(3) (2002) 287–296
The Globus Project, http://www.globus.org/
Schneier, B.: Description of a New Variable-Length Key, 64-Bit Block Cipher (Blowfish). Fast Software Encryption, Cambridge Security Workshop Proceedings December 1993). Springer-Verlag (1994) 191–204
Tuecke, S., Czajkowski, K., Foster, I., Frey, J., Graham, S., Kesselman, C.: Grid Service Specification. Open Grid Service Infrastructure Working Group, Global Grid Forum, Draft 2, 7/17/2002
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Black, G., Schuchardt, K., Gracio, D., Palmer, B. (2003). The Extensible Computational Chemistry Environment: A Problem Solving Environment for High Performance Theoretical Chemistry. In: Sloot, P.M.A., Abramson, D., Bogdanov, A.V., Gorbachev, Y.E., Dongarra, J.J., Zomaya, A.Y. (eds) Computational Science — ICCS 2003. ICCS 2003. Lecture Notes in Computer Science, vol 2660. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-44864-0_13
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DOI: https://doi.org/10.1007/3-540-44864-0_13
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