The implementation of GEMS, a Grid-based molecular simulator, on the EGEE Grid environment is presented. We discuss the main issues related to the porting of the application on the EGEE Grid platform and the creation of the VO CompChem for the community of Computational Chemists. The real-time visualization of some reaction’s magnitudes on Virtual Monitors is also discussed.

A Grid Molecular Simulator for E-Science

GERVASI, Osvaldo;LAGANA', Antonio
2005

Abstract

The implementation of GEMS, a Grid-based molecular simulator, on the EGEE Grid environment is presented. We discuss the main issues related to the porting of the application on the EGEE Grid platform and the creation of the VO CompChem for the community of Computational Chemists. The real-time visualization of some reaction’s magnitudes on Virtual Monitors is also discussed.
978-3-540-32036-4
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11391/22562
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