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Shared metadata for...
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Ghiringhelli, Luca M.Humboldt Univ, Germany; Max Planck Gesell, Germany; Friedrich Alexander Univ, Germany
(author)
Shared metadata for data-centric materials science
- Article/chapterEnglish2023
Publisher, publication year, extent ...
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NATURE PORTFOLIO,2023
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electronicrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:liu-197803
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https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-197803URI
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https://doi.org/10.1038/s41597-023-02501-8DOI
Supplementary language notes
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Language:English
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Summary in:English
Part of subdatabase
Classification
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Subject category:vet swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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Funding: European Union; German Research Foundation (DFG) through the NFDI consortium FAIRmat [951786]; Open Access Publication Fund of Humboldt-Universitaet zu Berlin; RSCF [460197019]; Projekt DEAL; [21-13-00419]
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The expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. In order to ensure that this need helps rather than hinders scientific work, the implementation of the FAIR-data principles (Findable, Accessible, Interoperable, and Reusable) must not be too narrow. Besides, the wider materials-science community ought to agree on the strategies to tackle the challenges that are specific to its data, both from computations and experiments. In this paper, we present the result of the discussions held at the workshop on “Shared Metadata and Data Formats for Big-Data Driven Materials Science”. We start from an operative definition of metadata, and the features that a FAIR-compliant metadata schema should have. We will mainly focus on computational materials-science data and propose a constructive approach for the FAIRification of the (meta)data related to ground-state and excited-states calculations, potential-energy sampling, and generalized workflows. Finally, challenges with the FAIRification of experimental (meta)data and materials-science ontologies are presented together with an outlook of how to meet them.
Subject headings and genre
Added entries (persons, corporate bodies, meetings, titles ...)
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Baldauf, CarstenMax Planck Gesell, Germany
(author)
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Bereau, TristanUniv Amsterdam, Netherlands
(author)
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Brockhauser, SandorHumboldt Univ, Germany; Humboldt Univ, Germany
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Carbogno, ChristianHumboldt Univ, Germany; Max Planck Gesell, Germany
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Chamanara, JavadTIB Leibniz Informat Ctr Sci & Technol & Univ Lib, Germany
(author)
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Cozzini, StefanoAREA Sci Pk, Italy
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Curtarolo, StefanoDuke Univ, NC 27708 USA
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Draxl, ClaudiaHumboldt Univ, Germany; Max Planck Gesell, Germany
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Dwaraknath, ShyamLawrence Berkeley Natl Lab, CA USA
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Fekete, ÁdámHumboldt Univ, Germany
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Kermode, JamesUniv Warwick, England
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Koch, Christoph T.Humboldt Univ, Germany
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Kühbach, MarkusHumboldt Univ, Germany
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Ladines, Alvin NoeHumboldt Univ, Germany
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Lambrix, PatrickLinköpings universitet,Databas och informationsteknik,Tekniska fakulteten,The Swedish e-Science Research Centre,IDA/ADIT(Swepub:liu)patla00
(author)
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Himmer, Maja-OliviaHumboldt Univ, Germany; Max Planck Gesell, Germany
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Levchenko, Sergey V.Skolkovo Inst Sci & Technol, Russia
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Oliveira, MicaelMax Planck Inst Struct & Dynam Matter, Germany
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Michalchuk, AdamBAM Fed Inst Mat Res & Testing, Germany; Univ Birmingham, England
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Miller, Ronald E.Carleton Univ, Canada
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Onat, BerkUniv Warwick, England
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Pavone, PasqualeHumboldt Univ, Germany
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Pizzi, GiovanniEcole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland; Paul Scherrer Inst PSI, Switzerland
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Regler, BenjaminHumboldt Univ, Germany; Max Planck Gesell, Germany
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Rignanese, Gian-MarcoUCLouvain, Belgium
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Schaarschmidt, JörgKarlsruhe Inst Technol KIT, Germany
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Scheidgen, MarkusHumboldt Univ, Germany
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Schneidewind, AstridForschungszentrum Julich, Germany
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Sheveleva, TatyanaTIB Leibniz Informat Ctr Sci & Technol & Univ Lib, Germany
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Su, ChuanxunUniv Sci & Technol China, Peoples R China
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Usvyat, DenisHumboldt Univ, Germany
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Valsson, OmarUniv North Texas, TX 76201 USA
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Wöll, ChristofKarlsruhe Inst Technol KIT, Germany
(author)
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Scheffler, MatthiasHumboldt Univ, Germany; Max Planck Gesell, Germany
(author)
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Humboldt Univ, Germany; Max Planck Gesell, Germany; Friedrich Alexander Univ, GermanyMax Planck Gesell, Germany
(creator_code:org_t)
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In:Scientific Data: NATURE PORTFOLIO102052-4463
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Ghiringhelli, Lu ...
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Baldauf, Carsten
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Bereau, Tristan
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Brockhauser, San ...
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Carbogno, Christ ...
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Chamanara, Javad
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Cozzini, Stefano
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Curtarolo, Stefa ...
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Draxl, Claudia
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Dwaraknath, Shya ...
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Fekete, Ádám
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Kermode, James
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Koch, Christoph ...
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Kühbach, Markus
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Ladines, Alvin N ...
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Lambrix, Patrick
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Himmer, Maja-Oli ...
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Levchenko, Serge ...
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Oliveira, Micael
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Michalchuk, Adam
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Miller, Ronald E ...
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Onat, Berk
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Pavone, Pasquale
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Pizzi, Giovanni
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Regler, Benjamin
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Rignanese, Gian- ...
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Schaarschmidt, J ...
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Scheidgen, Marku ...
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Schneidewind, As ...
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Sheveleva, Tatya ...
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Su, Chuanxun
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Usvyat, Denis
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Valsson, Omar
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Wöll, Christof
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Scheffler, Matth ...
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