General atomic and molecular electronic structure system
Journal of Computational Chemistry
Java Native Interface: Programmer's Guide and Reference
Java Native Interface: Programmer's Guide and Reference
GridSphere: An Advanced Portal Framework
EUROMICRO '04 Proceedings of the 30th EUROMICRO Conference
BOINC: A System for Public-Resource Computing and Storage
GRID '04 Proceedings of the 5th IEEE/ACM International Workshop on Grid Computing
A framework for execution of computational chemistry codes in grid environments
ICCS'06 Proceedings of the 6th international conference on Computational Science - Volume Part III
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High performance computing, storage, visualization, and database infrastructures are increasing in complexity as scientists move towards grid-based computing. This evolution of computing infrastructure has the effect of pushing breakthrough computational capabilities beyond the reach of domain scientists. In this work, we discuss a workflow management system that allows portal construction that is fully integrated with emerging grid standards but can be dynamically reconfigured. By defining an XML schema to describe both resources, application codes and interfaces, we will enable a ''pluggable'' event-driven model where grid-enabled services can be composed to form elaborate pipelines of simulation, and visual analysis.