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

  • Gary Black
  • Karen Schuchardt
  • Debbie Gracio
  • Bruce Palmer
Conference paper

DOI: 10.1007/3-540-44864-0_13

Part of the Lecture Notes in Computer Science book series (LNCS, volume 2660)
Cite this paper as:
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

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.

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