The grid: blueprint for a new computing infrastructure
The grid: blueprint for a new computing infrastructure
Service-Oriented Architecture: Concepts, Technology, and Design
Service-Oriented Architecture: Concepts, Technology, and Design
COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond
Journal of Grid Computing
On the structuring of the computational chemistry virtual organization COMPCHEM
ICCSA'06 Proceedings of the 6th international conference on Computational Science and Its Applications - Volume Part I
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The multiscale three dimensional Chemistry and Transport Model (CTM) package Chimere has been ported onto the segment of the European Grid Initiative platform available to the Virtual Organization COMPCHEM as part of the MPI parallelization activities of the European project EGI-Inspire. The model adopted by the package, its structure, the parallel restructuring made to execute it on EGI and an analysis of some of the main factors affecting its parallel performances are illustrated and discussed.