Grid empowered calculations are becoming an important advanced tool indispensable for scientific advances. The possibility of simplifying and harmonizing the work carried out by computational scientists using a Web Service approach is considered here. To this end, a new Collaborative Grid Framework has been developed and tested. As a study case a three dimensional reactive scattering code dealing with atom-diatom systems has been considered. To this end an extended study of the energy dependence of the electronically adiabatic reactivity of N + N2 has been performed on the EGEE Grid. © 2010 Elsevier B.V. All rights reserved.
GriF: A Grid framework for a Web Service approach to reactive scattering
Rampino S.
2010
Abstract
Grid empowered calculations are becoming an important advanced tool indispensable for scientific advances. The possibility of simplifying and harmonizing the work carried out by computational scientists using a Web Service approach is considered here. To this end, a new Collaborative Grid Framework has been developed and tested. As a study case a three dimensional reactive scattering code dealing with atom-diatom systems has been considered. To this end an extended study of the energy dependence of the electronically adiabatic reactivity of N + N2 has been performed on the EGEE Grid. © 2010 Elsevier B.V. All rights reserved.
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