AiiDA
Automated Interactive Infrastructure and Database for Computational Science


If you use AiiDA please cite:
AiiDA 1.0: S.P. Huber et al. arXiv:2003.12476 (2020)
AiiDA 0.x: G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016) (open access)

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Newly-engineered Materials Cloud Archive

👤 🕔 May 27, 2020 Comments Off on Newly-engineered Materials Cloud Archive

We would like to announce the launch of a newly engineered Materials Cloud Archive, now powered by the same Invenio framework as the massive Zenodo repository at CERN.

The Materials Cloud Archive, active since March 2017, is a public, free, open-access repository for research data and tools in computational materials science and in related experimental efforts, inspired by the archive initiatives for preprints. It provides the capability to upload and persist arbitrary data records from anyone in the community with a minimum guaranteed 10-year retention time per record. Currently, 0.5 petabytes are already allocated; the  limits for standard submissions are of 5 GB for data sets in any format, and of 50 GB for AiiDA databases; moderators can approve larger data sets upon request. Each entry is assigned a globally unique and persistent digital object identifier (DOI) and harvestable metadata. The new Invenio platform makes it easier for authors to submit and later update data records, provides full-text searches, and powers streamlined workflows for content moderation. 

The Archive is an integral part of the Materials Cloud FAIR data infrastructure, in partnership with several European and national centres – these include the MaX Centre of Excellence, the  MARVEL NCCR, the H2020 MarketPlace, NFFA, and Intersect projects, EMMC, swissuniversities, PASC, and OSSCAR. It is a recommended repository for Natureโ€™s Scientific Data, it is indexed by FAIRsharing, Google Dataset Search and EOSC-hub/EUDATโ€™s service B2FIND, and it is registered on re3data. Finally, it is an official implementation network of the GO FAIR initiative.

More information on the Materials Cloud integration of data, workflows and codes can be found in L. Talirz et al., Materials Cloud, a platform for open computational science, arXiv:2003.12510 (2020) and in S. Huber et al., AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance, arXiv:2003.12476 (2020)

The new Materials Cloud Archive infrastructure has been unveiled today (Wednesday 27th May 2020), during the MaX webinar (part of the ongoing MaX webinar series on advances toward exascale computing) that focused on FAIR and reproducible high-throughput computational science as enabled by AiiDA and AiiDA lab, Quantum ESPRESSO and SIRIUS, and the Materials Cloud Archive. Videos of the presentations are available online on the webpage of the event.

 

You can also find an article on the same topic on the MARVEL website.