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:
• The creation of a test bed for performing efficiently computational campaigns in the field of collision and photochemical dynamics..
• The design of computational algorithms efficiently exploiting the grid for quantum, semiclassical, classical and mixed quantum-classical approaches to molecular sciences
• The definition of workflow environments, shared data formats and ontologies for semantic web computational chemistry applications on the grid.