AiiDAlab

AiiDAlab is an all-in-one Jupyter-based web platform for running materials simulation workflows powered by AiiDA, used both for research and education.

AiiDA

AiiDA is an open-source workflow engine with built-in HPC support, automatic full data provenance, and a rich plugin system for extending and scaling capabilities.

Materials Cloud

The Materials Cloud is a platform for open and reproducible computational science, providing tools for sharing, publishing, and exploring research data and workflows.

This server is pre-configured with the AiiDAlab Quantum ESPRESSO (QE) app. The app provides a user-friendly interface to set up and run Quantum ESPRESSO calculations, which are widely used for electronic-structure and materials modeling. The app allows its users to easily configure input parameters, submit calculations, and visualize results, making it an ideal tool for beginners and experienced users, as well as instructors and students, in the field of computational materials science.

This work is or has been supported by the MARVEL National Centre of Competence in Research and funded by the Swiss National Science Foundation, the MARKETPLACE project funded by Horizon 2020 under the H2020-NMBP-25-2017 call (Grant No. 760173), as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598, and other Materials Cloud partners.