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Added orcids, updated references.
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markus1978 committed Sep 22, 2023
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14 changes: 9 additions & 5 deletions paper.bib
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Expand Up @@ -22,12 +22,16 @@ @article{scheffler:2022
doi={10.1038/s41586-022-04501-x}
}

@article{ghiringhelli:2022,
title={Shared Metadata for Data-Centric Materials Science},
@article{ghiringhelli:2023,
title={Shared metadata for data-centric materials science},
author={Ghiringhelli, Luca M and Baldauf, Carsten and Bereau, Tristan and Brockhauser, Sandor and Carbogno, Christian and Chamanara, Javad and Cozzini, Stefano and Curtarolo, Stefano and Draxl, Claudia and Dwaraknath, Shyam and others},
journal={arXiv preprint arXiv:2205.14774},
year={2022},
doi={10.48550/arXiv.2205.14774}
journal={Scientific Data},
volume={10},
number={1},
pages={626},
year={2023},
doi={10.1038/s41597-023-02501-8},
publisher={Nature Publishing Group UK London}
}

@article{andersen:2021,
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33 changes: 23 additions & 10 deletions paper.md
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Expand Up @@ -21,12 +21,13 @@ authors:
equal-contrib: true
affiliation: 1
- name: Alvin Noe Ladines
email: [email protected]
email: [email protected]
orcid: 0000-0003-0077-2097
equal-contrib: true
affiliation: 1
- name: David Sikter
email: [email protected]
orcid: 0000-0002-2102-7160
equal-contrib: true
affiliation: 1
- name: Mohammad Nakhaee
Expand All @@ -36,6 +37,7 @@ authors:
affiliation: 1
- name: Ádám Fekete
email: [email protected]
orcid: 0000-0002-6263-897X
equal-contrib: true
affiliation: 1
- name: Theodore Chang
Expand All @@ -45,40 +47,48 @@ authors:
affiliation: 1
- name: Amir Golparvar
email: [email protected]
orcid: 0000-0002-2412-6615
equal-contrib: true
affiliation: 1
- name: José A. Márquez
email: [email protected]
orcid: 0000-0002-8173-2566
affiliation: 1
- name: Sandor Brockhauser
email: [email protected]
orcid: 0000-0002-9700-4803
affiliation: 1
- name: Sebastian Brückner
email: [email protected]
orcid: 0000-0002-5969-847X
affiliation: 2
- name: Luca M. Ghiringhelli
email: [email protected]
orcid: 0000-0001-5099-3029
affiliation: 1
- name: Felix Dietrich
email: [email protected]
email: [email protected]
orcid: 0000-0002-2906-1769
affiliation: 3
- name: Daniel Lehmberg
email: [email protected]
orcid: 0000-0002-4012-5014
affiliation: 3
- name: Thea Denell
email: [email protected]
orcid: 0009-0000-7185-9363
affiliation: 1
- name: Andrea Albino
email: [email protected]
orcid: 0000-0001-9280-7431
affiliation: 1
- name: Hampus Näsström
email: [email protected]
orcid: 0000-0002-3264-1692
affiliation: 1
- name: Sherjeel Shabih
email: [email protected]
orcid: 0009-0008-6635-4465
affiliation: 1
- name: Florian Dobener
email: [email protected]
Expand All @@ -90,6 +100,7 @@ authors:
affiliation: 1
- name: Rubel Mozumder
email: [email protected]
orcid: 0009-0007-5926-6646
affiliation: 1
- name: Joseph F. Rudzinski
email: [email protected]
Expand All @@ -101,9 +112,11 @@ authors:
affiliation: 1
- name: José M. Pizarro
email: [email protected]
orcid: 0000-0002-6751-8192
affiliation: 1
- name: Martin Kuban
email: [email protected]
orcid: 0000-0002-1619-2460
affiliation: 1
- name: Cuauhtemoc Salazar
email: [email protected]
Expand All @@ -128,7 +141,7 @@ affiliations:
index: 2
- name: Department of Informatics, Technical University of Munich, Munich, Germany
index: 3
- name: Department of Physical Electronics, Masaryk University, Brno, Czech Republic
- name: Department of Plasma Physics and Technology, Masaryk University, Brno, Czech Republic
index: 4
date: 20 March 2023
bibliography: paper.bib
Expand Down Expand Up @@ -156,8 +169,8 @@ and documenting all produced research data and meta-data.

While individual researchers struggle with organizing and analyzing more and more data
artifacts, communities face new challenges in making data findable, accessible, inter-operable,
and reproducible (FAIR) [@wilkinson:2016]. A key factor to FAIR data, is to combine data with meta-data
and to put all data into machine and human comprehensible representations [@ghiringhelli:2017; @ghiringhelli:2022].
and reproducible (FAIR) [@wilkinson:2016]. A key factor to FAIR data is to combine data with meta-data
and to put all data into machine and human comprehensible representations [@ghiringhelli:2017; @ghiringhelli:2023].

Materials scientists require effective solutions for managing their research data, but they should not have to develop their own individual solutions. Hence, there is great demand in services (and software to run such services) that provide the mentioned features and make data FAIR.
This is evident in the great number of published datasets on services like [NOMAD](https://nomad-lab.eu) [@draxl:2018] (the main deployment of the NOMAD software), and an increasing number of materials science databases that all (re-)implement very similar functionality to publish their data.
Expand Down Expand Up @@ -185,7 +198,7 @@ about privacy or security. It should be noted that there is the possibility to t
between different installations, and in order to adhere to the FAIR principles, the data (or
at least meta-data) in these Oases would ideally be transferred to the public NOMAD service.
NOMAD Oasis is used by an increasing number of research institutes. NOMAD Oasis can be used freely
as per our OSI license following the instruction in the [NOMAD documentation](https://nomad-lab.eu/prod/v1/docs/oasis.html).
as per our OSI license following the instruction in the [NOMAD documentation](https://nomad-lab.eu/docs).

The [NFDI consortium FAIRmat](https://www.fairmat-nfdi.eu/fairmat)
uses NOMAD software as the bases for its federated FAIR data infrastructure [@scheffler:2022].
Expand All @@ -194,7 +207,7 @@ uses NOMAD software as the bases for its federated FAIR data infrastructure [@sc
software implementation) for materials science databases. NOMAD provides an implementation
of the OPTIMADE specification and is an active part of the OPTIMADE consortium.

Other materials science databases (and the respective software) focus on publishing data that were
Other materials science databases (and the respective software) focus on publishing data that were
produced with a specific framework and carefully curated by the group behind the database.
Typical examples are databases of
high-throughput simulations that try to systematically explore theoretical materials. Three
Expand All @@ -214,8 +227,8 @@ a file-format standard, schemas, and tools for experimental materials science da
# Acknowledgements

NOMAD software development is funded by the the German National Research Data
Infrastructure (NDFI) consortia FAIRmat (Deutsche Forschungsgemeinschaft DFG, 460197019) and the NOMAD CoE (EU Horizon 2020, 951786),
previous financial support was provided by the NOMAD CoE (EU Horizon 2020, 676580) and the Max-Planck Netzwerk BigMax.
The Max Planck Computing and Data Facility (MPCDF) is hosting NOMAD's github and operating the public NOMAD service.
Infrastructure (NFDI) consortium FAIRmat (Deutsche Forschungsgemeinschaft DFG, 460197019) and the NOMAD CoE (EU Horizon 2020, 951786),
previous financial support was provided by the NOMAD CoE (EU Horizon 2020, 676580) and the Max-Planck Network BigMax.
The Max Planck Computing and Data Facility (MPCDF) is hosting NOMAD's github and operating the public NOMAD service.

# References

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