2.2 Research Data Infrastructures
27
2.2.3.3 Materials Cloud
The Materials Cloud
13 is another domain-specific data infrastructure, which includes
all the three aforementioned layers and implement them with specific technology supporting the data life cycle in materials modelling [11]. The Materials Cloud is, just
like NOMAD, recommended by Nature for supplementary data for journal submissions in materials modelling. In the Materials Cloud, the ARCHIVE, DISCOVER,
EXPLORE, WORK and LEARN components form according to data infrastructure.
The ARCHIVE component represents the open-access research data repository
component with long-term storage, metadata protocols (including metadata harvesting for Google Dataset Search and B2FIND) and persistent identifiers (DOIs). The
hardware backend of ARCHIVE is hosted at the Swiss National Computing Centre,
is free of charge and data records are preserved for 10 years. For the software layer,
Invenio will be used. ARCHIVE is moderated, which means all the ingested data is
first checked against certain criteria, just as on preprint document servers. The DISCOVER component corresponds to the browsing capabilities for curated datasets of
ARCHIVE and offers interactive visualization. The EXPLORE part of the system
is the component that tracks and displays provenance information of the datasets to
ensure FAIR and reproducible data. All this information is recorded by the AiiDA
system, which can be imagined as a git style methodology for data. The information
is shown in a provenance graph. The WORK component is the part of the Materials
Cloud data infrastructure that allows working with the available data, which can be
either stand-alone tools to perform inexpensive calculations or AiiDA lab. AiiDA lab
is a tool for defining workflows and orchestrating them from the web interface, since
it lets users connect and use remote computational resources or other repositories
which include the OPTIMADE standard,
14 so, for example, NOMAD. The LEARN
part of the system features educational material, such as tutorials or video lectures
and a downloadable image of a virtual machine for training purposes in materials
modelling. This part is important since it covers metadata processes as displayed in
Sect. 2.1.1.4.
Just as NOMAD, the Materials Cloud is highly integrated data infrastructure,
where the ARCHIVE component acts as the storage layer (l1) and the object layer
(l2). The service layer (l3) is set up by DISCOVER, EXPLORE, WORK and LEARN
components.
2.2.3.4 Chemotion, MoMaF and NFDI
The Science Data Center for Molecular Materials Research (MoMaF)
15 is one of
the four Science Data Center (SDC) projects of the state of Baden-Württemberg in
Germany started in late 2019. Its goal is to support the data life cycle and implement
13 https://www.materialscloud.org/.
14 https://www.optimade.org/.
15 https://momaf.scc.kit.edu/.
27
2.2.3.3 Materials Cloud
The Materials Cloud
13 is another domain-specific data infrastructure, which includes
all the three aforementioned layers and implement them with specific technology supporting the data life cycle in materials modelling [11]. The Materials Cloud is, just
like NOMAD, recommended by Nature for supplementary data for journal submissions in materials modelling. In the Materials Cloud, the ARCHIVE, DISCOVER,
EXPLORE, WORK and LEARN components form according to data infrastructure.
The ARCHIVE component represents the open-access research data repository
component with long-term storage, metadata protocols (including metadata harvesting for Google Dataset Search and B2FIND) and persistent identifiers (DOIs). The
hardware backend of ARCHIVE is hosted at the Swiss National Computing Centre,
is free of charge and data records are preserved for 10 years. For the software layer,
Invenio will be used. ARCHIVE is moderated, which means all the ingested data is
first checked against certain criteria, just as on preprint document servers. The DISCOVER component corresponds to the browsing capabilities for curated datasets of
ARCHIVE and offers interactive visualization. The EXPLORE part of the system
is the component that tracks and displays provenance information of the datasets to
ensure FAIR and reproducible data. All this information is recorded by the AiiDA
system, which can be imagined as a git style methodology for data. The information
is shown in a provenance graph. The WORK component is the part of the Materials
Cloud data infrastructure that allows working with the available data, which can be
either stand-alone tools to perform inexpensive calculations or AiiDA lab. AiiDA lab
is a tool for defining workflows and orchestrating them from the web interface, since
it lets users connect and use remote computational resources or other repositories
which include the OPTIMADE standard,
14 so, for example, NOMAD. The LEARN
part of the system features educational material, such as tutorials or video lectures
and a downloadable image of a virtual machine for training purposes in materials
modelling. This part is important since it covers metadata processes as displayed in
Sect. 2.1.1.4.
Just as NOMAD, the Materials Cloud is highly integrated data infrastructure,
where the ARCHIVE component acts as the storage layer (l1) and the object layer
(l2). The service layer (l3) is set up by DISCOVER, EXPLORE, WORK and LEARN
components.
2.2.3.4 Chemotion, MoMaF and NFDI
The Science Data Center for Molecular Materials Research (MoMaF)
15 is one of
the four Science Data Center (SDC) projects of the state of Baden-Württemberg in
Germany started in late 2019. Its goal is to support the data life cycle and implement
13 https://www.materialscloud.org/.
14 https://www.optimade.org/.
15 https://momaf.scc.kit.edu/.