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AiiDA lab - A cloud platform for accessible Materials Simulations

AiiDA lab is a cloud platform based on jupyter and jupyterhub, that includes AiiDA and most of the MAX flagship codes already pre-installed and ready to be run with just a few clicks. Moreover, thanks to its “appmode” interface, simple but very powerful GUIs can be easily developed, and then used to drive quantum simulations directly from the browser. For on-premises installations, besides using Quantum Mobile, the AiiDA lab platform can be deployed in an OpenStack installation, either within a company or in a data centre. We are already implementing a viable model (including technical, support and possibly legal aspects) to deploy these services for internal company use, to encourage industrial uptake.

Quantum Mobile— a VirtualBox machine that comes with AiiDA and a set of commonly used quantum codes preinstalled

The use of Quantum Mobile does not require any initial setup, therefore it can be used for teaching exercises in classes and to run calculations locally using AiiDA, or even to use AiiDA to manage remote computational resources with a consistent environment. The machine already includes the majority of the MAX flagship codes and many more, together with the corresponding AiiDA plugins and workflows. You can find all instructions to download the most recent version on the release page.

Support

We offer support in adding packages to Quantum Mobile and for AiiDA lab off site deployment. The users can request support via the central MAX support services: support@max-centre.eu. Moreover, support can also be requested via the AiiDA mailing list (for Quantum Mobile) or at aiidalab@materialscloud.org (for AiiDA lab).