The project is aimed at constructing a simulator of molecular beam experiments operating through the Web. This will be achieved by assembling the expertise of several chemical laboratories competent in carrying out electronic structure and dynamics calculations and skilled in rationalising molecular beam experiments. Computer science groups will also collaborate to construct the simulation on the Web, to develop related middle-ware and to manage the metacomputing back-end. The simulator will be used to reproduce reactive scattering properties of some gas phase chemical reactions, to rationalise their attack mechanisms and to pivot experimental measurements.
SIMBEX: a metalaboratory for the priori simulation of crossed molecular beam experiments", European Concerted Research Action (COST Action D23)
Ranieri Baraglia;Domenico Laforenza
2001
Abstract
The project is aimed at constructing a simulator of molecular beam experiments operating through the Web. This will be achieved by assembling the expertise of several chemical laboratories competent in carrying out electronic structure and dynamics calculations and skilled in rationalising molecular beam experiments. Computer science groups will also collaborate to construct the simulation on the Web, to develop related middle-ware and to manage the metacomputing back-end. The simulator will be used to reproduce reactive scattering properties of some gas phase chemical reactions, to rationalise their attack mechanisms and to pivot experimental measurements.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
