[QE-users] Newly-engineered Materials Cloud Archive unveiled

[Nicola Marzari]

Thank you Giovanni! Let me try to repost below with hopefully firendlier 
formatting - apologies to all for the double posting!

				nicola



Dear Quantum ESPRESSO users,

we would like to announce the launch of a newly engineered Materials 
Cloud Archive <https://archive.materialscloud.org/>, now powered by the 
same Invenio framework as the massive Zenodo 
<https://zenodo.org/>repository at CERN.

The Materials Cloud Archive <https://archive.materialscloud.org/>, 
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 
<https://www.materialscloud.org/>FAIR data infrastructure, in 
partnership with several European and national centres - these include 
the MaX <http://www.max-centre.eu/>Centre of Excellence, the MARVEL 
<https://nccr-marvel.ch/>NCCR, the H2020 MarketPlace 
<https://www.the-marketplace-project.eu/>, NFFA <http://www.nffa.eu/>, 
and Intersect <http://intersect-project.eu/>projects, EMMC 
<https://emmc.info/>, swissuniversities 
<https://www.materialscloud.org/swissuniversities>, PASC 
<https://www.pasc-ch.org/>,and OSSCAR <https://www.osscar.org/>. It is a 
recommended repository for Nature’s Scientific Data 
<https://www.nature.com/sdata/policies/repositories#materials>, it is 
indexed by FAIRsharing <https://fairsharing.org/biodbcore-001089/>, 
Google Dataset Search 
<https://datasetsearch.research.google.com/search?query=Materials%20Cloud>and 
EOSC-hub <https://www.eosc-hub.eu/>/EUDAT <https://www.eudat.eu/>’s 
service B2FIND <http://b2find.eudat.eu/group/materialscloud>, and it is 
registered on re3data <https://www.re3data.org/repository/r3d100012611>. 
Finally, it is an official implementation network 
<https://www.go-fair.org/implementation-networks/overview/materials-cloud/>of 
the GO FAIR initiative <https://www.go-fair.org/>.

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) 
<https://arxiv.org/abs/2003.12510>and in S. Huber et al., AiiDA 1.0, a 
scalable computational infrastructure for automated reproducible 
workflows and data provenance, arXiv:2003.12476 (2020) 
<https://arxiv.org/abs/2003.12476>.

The new Materials Cloud Archive infrastructure has been unveiled today 
(Wednesday 27th May 2020), during the MaX webinar <http://www.max 
centre.eu/webinar/managing-simplifying-and-disseminating-high-throughput-computational-materials-science-aiida>(part 
of the ongoing MaX webinar series <http://www.max-centre.eu/webinar>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 will be available online from 
tomorrow (28th May) on the webpage of the event 
<http://www.max-centre.eu/webinar/managing-simplifying-and-disseminating-high-throughput-computational-materials-science-aiida>.

With warmest regards,

Giovanni Pizzi, Nicola Marzari, and the Materials Cloud team


----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project