The Extensible Computational Chemistry Environment: A Problem Solving Environment for High Performance Theoretical Chemistry

  • Gary Black
  • Karen Schuchardt
  • Debbie Gracio
  • Bruce Palmer
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 2660)

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.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Web Distributed Authoring and Versioning Protocol, http://www.ietf.org/rfc/rfc2518.txt
  2. 2.
    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) 287–296CrossRefGoogle Scholar
  3. 3.
    The Globus Project, http://www.globus.org/
  4. 4.
    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) 191–204Google Scholar
  5. 5.
    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, 7/17/2002Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2003

Authors and Affiliations

  • Gary Black
    • 1
  • Karen Schuchardt
    • 1
  • Debbie Gracio
    • 1
  • Bruce Palmer
    • 1
  1. 1.Pacific Northwest National LaboratoryRichland

Personalised recommendations