Quantum Mobile is a Virtual Machine for computational materials science.

It comes with a collection of software packages for quantum mechanical calculations, including

• Quantum ESPRESSO
• Yambo
• fleur
• Siesta
• CP2K
• Wannier90
• BigDFT

all of which are set up and ready to be used on their own or through the AiiDA python framework for automated workflows and provenance tracking.

See the documentation for further details: https://quantum-mobile.readthedocs.io

Please direct inquiries regarding Quantum Mobile to the AiiDA mailinglist

For issues encountered during installation of the VM, see the FAQ documentation.

This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation, as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.