D4.4 - Release of documentation of the design of a GUI accessible to non-experts of simulations, and pilot implementation for at least one common workflow interface
This deliverable provides documentation for the design of a graphical user interface (GUI) to drive common simulation workflows in materials science. The GUI is designed to be user-friendly and intuitive, accessible to both experts and non-experts in the field. A demonstration of the GUI is provided as part of the broader ELN-WFMS interoperability demonstration in D1.3.
- Edan Bainglass (PSI)
The goal of this deliverable is to provide a comprehensive overview of how the PREMISE team, along with the broader AiiDAlab team, designs and implements GUIs for materials science simulations accessible to a wide range of users. Furthermore, the deliverable aims to provide a GUI fully decoupled from the underlying simulation software, focusing the user on the scientific workflow rather than the technical details and underlying software.
Much of the design and implementation principles behind the GUI are described in the recent publications on the AiiDAlab platform and the flagship AiiDAlab Quantum ESPRESSO app. The specific design and implementation of the GUI for common simulation workflows is given in the documentation of the AiiDAlab AiiDA Common Workflows (ACWF) app.
The PREMISE project is supported by the Open Research Data Program of the ETH Board.
