#Deliverable 1.5 “GUI Design and Setup”

Deliverable 1.5

#Deliverable 1.5 “GUI Design and Setup”

As we recently posted, new INTERSECT project deliverables are out! Deliverable 1.5 “GUI Design and Seupt”, by our intersecters Joana Francisco Morgado, Andrea Padovani, Claudio Rosati, Arrigo Calzolari, and Adham Hashibon (read more on People), is is prepared under the task T1.4. “Graphical User Interface and integration on Marketplace” of Work Package 1 – “IM2D box architecture” of the INTERSECT project. The activity started at M9 of the project and is coordinated by FRA unit in collaboration with EPFL and AMAT (more on Partners).

Executive summary: This report describes the initial design of Graphical User Interface (GUI) that will be developed within INTERSECT, as front-end of the Interoperable Material-To-Device Simulation Box (IM2D). The realization of the IM2D GUI is based on the semantic upscale of the native GUI of the GinestraTM code, which is one of the main components (for device modelling) of the entire infrastructure. The GUI is conceived to support both the material exploration and device modelling, depending on the user’s need.
Two implementations schemes have been considered and discussed in the following Section. The Ginestra™ GUI has been upscaled for IM2D purposes by including functions for the ‘material on demand’ data generation, through the Ginestra-AiiDA plugin that allows for the direct communication between Ginestra™ and the DFT engine codes through the AiiDA connection (see also Sec. 4.1 of Deliverable D3.3). Depending on the user profiles, namely persona (see definition in Deliverable D1.1), and their specific computational needs (see “high-level requirements” in Deliverable D1.4), different kinds of access to IM2D have been planned, through local or on cloud installations of the infrastructure. We explored the latter solution by integrating the Ginestra™ GUI within MarketPlace digitalization hub, through SimPhoNy-remote solution.
The rest of the document is organized as follow: Section 1 describes the main objectives and ideas at the basis of the GUI design. Section 2 describes the work plan for the GUI design. Sections 3 and 4 briefly report on the main initial tools we considered for the IM2D GUI preparation and its integration to Marketplace, namely the GinestraTM GUI and SimPhoNyremote, respectively. Section 5 presents a first preliminary example of integration of the existing GUI to MarketPlace.

Info & download: J. F. Morgado, A. Padovani, C. Rosati, A. Calzolari, and A. Hashibon (2020): GUI design and setup D1.5 of the H2020 project INTERSECT (final version as of 30/07/2020). EC grant agreement no: 814487, CNR, Modena, Italy.

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