#Deliverable 1.4 “Report on high-level requirements, interoperability interfaces for coupling and linking”

deliverable 1.4

#Deliverable 1.4 “Report on high-level requirements, interoperability interfaces for coupling and linking”

As we recently posted, new INTERSECT project deliverables are out! Deliverable 1.4 “Report on high-level requirements, interoperability interfaces for coupling and linking (FRA)” by our intersecters Joana Francisco Morgado, Arrigo Calzolari, Nicola Marzari, and Adham Hashibon is about the architecture design of the Interoperable Materials-to-Device (IM2D) infrastructure, developed within the INTERSECT project,

Executive summary: The INTERSECT Interoperable Materials-to-Device (IM2D) comprises the interconnection between the GinestraTM code, which is an industry ready, mature technology for device design, and emerging, upscaled target materials electronic modelling codes (Quantum ESPRESSO (QE), and SIESTA) and databases (e.g. materialscloud.org). This deliverable reports on the overall IM2D architecture and workflows design focusing on specific target end users, namely those taking the role of device developers that are not necessarily experts in a particular materials modelling approaches but are knowledgeable in device R&D, design and manufacturing. The aim is then to enable an increased utilization of advanced materials modelling in the industry day-to-day activities, by embedding the modelling expertise into the IM2D system.
For this reason, the architecture focuses on the high-level requirements and interoperability interfaces that define this type of user’s interaction with the integrated environment design IM2D. This includes the necessary coupling and linking scenarios to support both the classical bottom-up and the top-down designs – i.e., from materials properties to prediction of the electrical device performances and vice versa, from the performance requirements (e.g., casted in Key Performance Indicators (KPI)), to materials selection). In particular this deliverable lays down the requirements and specifications of select user stories identified in Deliverable D1.1 and extends INTERSECT ontology foundations (reported in Deliverable D1.3) with new concepts necessary to enable semantic interoperability across IM2D workflows implemented in WP2. This portfolio of activities carried out along this work resides on the core of IM2D semantic interface development.

Info & download: J. F. Morgado, A. Calzolari, N. Marzari, and A. Hashibon (2020): Report on INTERSECT high-level requirements, interoperability interfaces for coupling and linking. D1.4 of the H2020 project INTERSECT (final version as of 30/07/2020). EC grant agreement no: 814487, CNR, Modena, Italy.

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