diff --git a/paper.bib b/paper.bib index 007a911fd..c80ea9faa 100644 --- a/paper.bib +++ b/paper.bib @@ -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, diff --git a/paper.md b/paper.md index 0362742ea..705ec7fbc 100644 --- a/paper.md +++ b/paper.md @@ -21,12 +21,13 @@ authors: equal-contrib: true affiliation: 1 - name: Alvin Noe Ladines - email: ladinesalvinnoe@gmail.com + email: alvin.noe.ladines@physik.hu-berlin.de orcid: 0000-0003-0077-2097 equal-contrib: true affiliation: 1 - name: David Sikter email: david.sikter@physik.hu-berlin.de + orcid: 0000-0002-2102-7160 equal-contrib: true affiliation: 1 - name: Mohammad Nakhaee @@ -36,6 +37,7 @@ authors: affiliation: 1 - name: Ádám Fekete email: adam@fekete.co.uk + orcid: 0000-0002-6263-897X equal-contrib: true affiliation: 1 - name: Theodore Chang @@ -45,10 +47,12 @@ authors: affiliation: 1 - name: Amir Golparvar email: amir.golparvar@physik.hu-berlin.de + orcid: 0000-0002-2412-6615 equal-contrib: true affiliation: 1 - name: José A. Márquez email: jose.marquez@physik.hu-berlin.de + orcid: 0000-0002-8173-2566 affiliation: 1 - name: Sandor Brockhauser email: sandor.brockhauser@physik.hu-berlin.de @@ -56,13 +60,15 @@ authors: affiliation: 1 - name: Sebastian Brückner email: sebastian.brueckner@ikz-berlin.de + orcid: 0000-0002-5969-847X affiliation: 2 - name: Luca M. Ghiringhelli email: luca.ghiringhelli@physik.hu-berlin.de orcid: 0000-0001-5099-3029 affiliation: 1 - name: Felix Dietrich - email: felix.dietrich@tum.de + email: felix.dietrich@tum.de + orcid: 0000-0002-2906-1769 affiliation: 3 - name: Daniel Lehmberg email: d.lehmberg@tum.de @@ -70,15 +76,19 @@ authors: affiliation: 3 - name: Thea Denell email: denell@physik.hu-berlin.de + orcid: 0009-0000-7185-9363 affiliation: 1 - name: Andrea Albino email: andrea.albino@physik.hu-berlin.de + orcid: 0000-0001-9280-7431 affiliation: 1 - name: Hampus Näsström email: hampus.naesstroem@physik.hu-berlin.de + orcid: 0000-0002-3264-1692 affiliation: 1 - name: Sherjeel Shabih email: sherjeel.shabih@physik.hu-berlin.de + orcid: 0009-0008-6635-4465 affiliation: 1 - name: Florian Dobener email: florian.dobener@physik.hu-berlin.de @@ -90,6 +100,7 @@ authors: affiliation: 1 - name: Rubel Mozumder email: mozumder@physik.hu-berlin.de + orcid: 0009-0007-5926-6646 affiliation: 1 - name: Joseph F. Rudzinski email: joseph.rudzinski@physik.hu-berlin.de @@ -101,9 +112,11 @@ authors: affiliation: 1 - name: José M. Pizarro email: jose.pizarro@physik.hu-berlin.de + orcid: 0000-0002-6751-8192 affiliation: 1 - name: Martin Kuban email: kuban@physik.hu-berlin.de + orcid: 0000-0002-1619-2460 affiliation: 1 - name: Cuauhtemoc Salazar email: cuauhtemoc.salazar@physik.hu-berlin.de @@ -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 @@ -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. @@ -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]. @@ -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 @@ -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