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.



Titolo: A Grid Molecular Simulator for E-Science
Autori: 
GERVASI, Osvaldo
LAGANA', Antonio
mostra contributor esterni 
Data di pubblicazione: 2005
Rivista: 
LECTURE NOTES IN COMPUTER SCIENCE  
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.
Handle: http://hdl.handle.net/11391/22562
ISBN: 978-3-540-32036-4
Appare nelle tipologie:4.1 Contributo in Atti di convegno

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