#Deliverable 2.5 “Semantic interoperability of the automated workflows through SimPhoNy”

#Deliverable 2.5 “Semantic interoperability of the automated workflows through SimPhoNy”

As we recently posted, new INTERSECT project deliverables are out! Deliverable 2.5, “Semantic interoperability of the automated workflows through SimPhoNy“, by our intersecters M. Büschelberger, K. Frei, C. Eichheimer, J. F. Morgado, F. Benedetto, C. Rosati, M. Bertocchi, and A. Calzolari, has been developed within Task 2.4 – Interoperability hub: Upscaling of semantic interconnections – and is dedicated to the implementation and integration of the European Materials Modeling Ontology (EMMO)-based semantic model (reported in D1.3) in the developed INTERSECT Interoperable Material-to-Device (IM2D) automated workflows and Graphical User Interface (GUI).

We developed a specific extension of the OSP-core (called OSP-wrapper – in this case AiiDA-wrapper) for SimPhoNy, which provides a flexible interface for the implemented ontologies. This interface controls the workflow process, facilitates the precision of the simulation results, and adjusts the inputs according to the different persona, as defined in D1.1. Furthermore, it enriches the computed data with materials scientific knowledge (i.e., metadata) stored into Resource Description Framework (RDF) triples, and it directs them towards the specific workflow routes. For the generation of RDF-triples, the third-party AllegroGraph triple store has been added to IM2D. The combination of all these features enables the semantic interoperability upscale of IM2D.

In order to meet the Application Programming Interface (API) requirements of the new GUI architecture (D2.6), an additional REpresentational State Transfer (REST) service has been developed to instantiate the Common Universal Data Structure (CUDS) objects, and to control and execute the AiiDA-wrapper itself. On the technical ground, the need for an extra REST API is motivated by the fact that the GUI is written in Java and it requires an additional interface to generate the Python-native CUDS objects. In this way, the REST API provides a seamless integration of the IM2D-frontend into GINESTRATM and a clear separation towards the remote computational services through AiiDA and SimPhoNy.

Read Deliverable 2.5, “Semantic interoperability of the automated workflows through SimPhoNy“,

Info & Download: M. Büschelberger et al. (2021): Semantic interoperability of the automated workflows through SimPhoNy. Deliverable D2.5 of the H2020 project INTERSECT (final version as of 27/07/2021). EC grant agreement no: 814487, EPFL, Lausanne, Switzerland.

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