Welcome Page#

The Quantum ESPRESSO App - Version v26.06.0-dev

The Quantum ESPRESSO (QE) app is an AiiDAlab Jupyter-based graphical user interface allowing users to conduct and streamline many of Quantum ESPRESSO’s calculations by leveraging AiiDA’s powerful workflows implemented in the AiiDA Quantum ESPRESSO plugin.

Installation Guide

Access AiiDAlab and install the app

To the installation guide

Tutorials

Learn how to use the basic features of the app

To the tutorials

How-to Guides

Learn more advanced settings and features, including how to configure the app to run Quantum ESPRESSO on a cluster

To the how-to guides

Development

Learn how to develop the app

To the development guide

Blogs

Learn how to develop the app

To the blogs

Report an Issue

Came across a bug in the app? You can report issues here

To report an issue

How to cite#

If you use the app in your research, please cite:

Wang, X., Bainglass, E., Bonacci, M., Ortega-Guerrero, A. et al.
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
npj. Comput. Mater. 12, 72 (2026). https://doi.org/10.1038/s41524-025-01936-4

In addition, please follow these links to:

Acknowledgements#

We acknowledge the AiiDAlab team for the development of the Quantum ESPRESSO app.

We also acknowledge support from:

BIG-MAP project funded by the Horizon 2020 research and innovation programme (Grant No. 957189).
MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation.
MARKETPLACE project funded by Horizon 2020 under the H2020-NMBP-25-2017 call (Grant No. 760173).
MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program (Grant No. 676598).
DOME 4.0 project funded by the EU Horizon 2020 Research and Innovation Programme (Grant No. 953163).