Organisation(s):

Ethiopian Education and Research Network – Ethiopia
Department of Physics and Astronomy – University of Catania – Italy

(EthERNet)Member(s):

Mr. Mekuanent GETACHEW

Other Member(s):

Eng. Mario TORRISI
Prof. Roberto BARBERA

 

Use Case Description

Integration of Computational Chemistry applications in the Africa Grid Science Gateway
The objective of this use case is to integrate Computation Chemistry applications needed by the Ethiopian research community, such as Gaussian and Quantum EXPRESSO, in the Africa Grid Science Gateway.


e-Infrastructure Services Exploited

The main outcome of the use case is a series of JSR 168/286 standard-based “portlets”, which have been integrated in the Africa Grid Science Gateway based on the Catania Science Gateway Framework.

For running APSG jobs, the Africa Grid Science Gateway is connected to Grid and Cloud resources belonging to the Africa & Arabia Regional Operation Centre.

Current Implementation of the Use Case

Qauntum ESPRESSO portlet