#Deliverable 1.3 “Report on INTERSECT developed ontologies and MODA”

03 Feb #Deliverable 1.3 “Report on INTERSECT developed ontologies and MODA”

A new group of deliverables is out! Our “Report on INTERSECT developed ontologies and MODA“, by Joana Francisco Morgado, Jana Boehm, Arrigo Calzolari, and Adham Hashibon, documents the strategy related to the INTERSECT ontology development.

Executive summary: The strategy used for the INTERSECT ontology development and its application using the ontology-based data structures are documented in this report. The developed INTERSECT ontology is compliant with the European Materials Modelling Ontology (EMMO) that aims at being the European standard in representing all aspects of materials modelling and characterization and can also be applied to other domains. This report documents the initial extension of EMMO towards the material-to-device application field. In particular, as a first example, we implemented the EMMO extensions for the representation of the total energy in DFT ground state simulations and its application to build Common Universal Data Structures (CUDS). Following this positive case other relevant quantities will be implemented in the next months. The INTERSECT specific ontology-based data structures populate a dedicated ontology module (namely “intersect_extension”) compliant with the EMMO ontology structure. This module imports the EMMO core classes and uses them as root for the INTERSECT-specific development. The presented ontology is currently being used in the AiiDA-CUDS wrapper development and, at the same time, it is being enhanced since new extensions are required in order to represent all IM2D’s workflows.

Info & download: J. F. Morgado, J. Boehm, A. Hashibon, and A. Calzolari (2020): Report on INTERSECT developed ontologies and MODA D1.3 of the H2020 project INTERSECT (final version as of 30/01/2020). EC grant agreement no: 814487, CNR, Modena, Italy.

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