Description
The session will be structured as a workshop targeted to molecular scientists and devoted to the analysis of how the COMPCHEM VO is progressing in the assemblage of grid empowered molecular simulators. Items discussed will be:
โข The creation of a test bed for performing efficiently computational campaigns in the field of collision and photochemical dynamics..
โข The design of computational algorithms efficiently exploiting the grid for quantum, semiclassical, classical and mixed quantum-classical approaches to molecular sciences
โข The definition of workflow environments, shared data formats and ontologies for semantic web computational chemistry applications on the grid.
01/10/2007, 14:00
01/10/2007, 14:30
