https://github.com/marvel-nccr/quantum-mobile

A Virtual Machine for computational materials science
https://github.com/marvel-nccr/quantum-mobile

computational-materials-science quantum-mobile virtual-machine virtualbox

Last synced: 6 months ago
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A Virtual Machine for computational materials science

• Host: GitHub
• URL: https://github.com/marvel-nccr/quantum-mobile
• Owner: marvel-nccr
• License: other
• Created: 2017-10-09T22:10:36.000Z (almost 9 years ago)
• Default Branch: main
• Last Pushed: 2025-09-09T21:57:10.000Z (11 months ago)
• Last Synced: 2026-02-08T16:34:37.968Z (6 months ago)
• Topics: computational-materials-science, quantum-mobile, virtual-machine, virtualbox
• Language: Python
• Homepage: https://quantum-mobile.readthedocs.io
• Size: 10.3 MB
• Stars: 94
• Watchers: 8
• Forks: 35
• Open Issues: 38
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • License: LICENSE

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# Quantum Mobile

## What is Quantum Mobile

*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](http://www.quantum-espresso.org/)

- [Yambo](http://www.yambo-code.org/)

- [fleur](http://www.flapw.de/)

- [Siesta](https://gitlab.com/siesta-project/siesta)

- [CP2K](https://www.cp2k.org)

- [Wannier90](http://www.wannier.org)

- [BigDFT](http://www.bigdft.org)

all of which are set up and ready to be used on their own or through the

[AiiDA](http://www.aiida.net) python framework for automated workflows and

provenance tracking.

See the documentation for further details: 

![A brief impression of the Quantum Mobile interface.](docs/_static/quantum_mobile.gif)

## Contact

Please direct inquiries regarding Quantum Mobile to the [AiiDA mailinglist](http://www.aiida.net/mailing-list/)

For issues encountered during installation of the VM, see the [FAQ documentation]([docs/users/faq.md](https://quantum-mobile.readthedocs.io/en/latest/users/faq.html)).

## Acknowledgements

This work is supported by the [MARVEL National Centre for Competency in Research](http://nccr-marvel.ch)

funded by the [Swiss National Science Foundation](http://www.snf.ch/en),

as well as by the [MaX European Centre of Excellence](http://www.max-centre.eu/) funded by

the Horizon 2020 EINFRA-5 program, Grant No. 676598.