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Shared metadata for data-centric materials science
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- Ghiringhelli, Luca M. (author)
- Humboldt Univ, Germany; Max Planck Gesell, Germany; Friedrich Alexander Univ, Germany
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- Baldauf, Carsten (author)
- Max Planck Gesell, Germany
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- Bereau, Tristan (author)
- Univ Amsterdam, Netherlands
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- Brockhauser, Sandor (author)
- Humboldt Univ, Germany; Humboldt Univ, Germany
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- Carbogno, Christian (author)
- Humboldt Univ, Germany; Max Planck Gesell, Germany
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- Chamanara, Javad (author)
- TIB Leibniz Informat Ctr Sci & Technol & Univ Lib, Germany
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- Cozzini, Stefano (author)
- AREA Sci Pk, Italy
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- Curtarolo, Stefano (author)
- Duke Univ, NC 27708 USA
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- Draxl, Claudia (author)
- Humboldt Univ, Germany; Max Planck Gesell, Germany
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- Dwaraknath, Shyam (author)
- Lawrence Berkeley Natl Lab, CA USA
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- Fekete, Ádám (author)
- Humboldt Univ, Germany
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- Kermode, James (author)
- Univ Warwick, England
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- Koch, Christoph T. (author)
- Humboldt Univ, Germany
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- Kühbach, Markus (author)
- Humboldt Univ, Germany
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- Ladines, Alvin Noe (author)
- Humboldt Univ, Germany
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- Lambrix, Patrick (author)
- Linköpings universitet,Databas och informationsteknik,Tekniska fakulteten,The Swedish e-Science Research Centre,IDA/ADIT
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- Himmer, Maja-Olivia (author)
- Humboldt Univ, Germany; Max Planck Gesell, Germany
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- Levchenko, Sergey V. (author)
- Skolkovo Inst Sci & Technol, Russia
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- Oliveira, Micael (author)
- Max Planck Inst Struct & Dynam Matter, Germany
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- Michalchuk, Adam (author)
- BAM Fed Inst Mat Res & Testing, Germany; Univ Birmingham, England
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- Miller, Ronald E. (author)
- Carleton Univ, Canada
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- Onat, Berk (author)
- Univ Warwick, England
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- Pavone, Pasquale (author)
- Humboldt Univ, Germany
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- Pizzi, Giovanni (author)
- Ecole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland; Paul Scherrer Inst PSI, Switzerland
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- Regler, Benjamin (author)
- Humboldt Univ, Germany; Max Planck Gesell, Germany
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- Rignanese, Gian-Marco (author)
- UCLouvain, Belgium
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- Schaarschmidt, Jörg (author)
- Karlsruhe Inst Technol KIT, Germany
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- Scheidgen, Markus (author)
- Humboldt Univ, Germany
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- Schneidewind, Astrid (author)
- Forschungszentrum Julich, Germany
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- Sheveleva, Tatyana (author)
- TIB Leibniz Informat Ctr Sci & Technol & Univ Lib, Germany
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- Su, Chuanxun (author)
- Univ Sci & Technol China, Peoples R China
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- Usvyat, Denis (author)
- Humboldt Univ, Germany
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- Valsson, Omar (author)
- Univ North Texas, TX 76201 USA
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- Wöll, Christof (author)
- Karlsruhe Inst Technol KIT, Germany
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- Scheffler, Matthias (author)
- Humboldt Univ, Germany; Max Planck Gesell, Germany
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(creator_code:org_t)
- NATURE PORTFOLIO, 2023
- 2023
- English.
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In: Scientific Data. - : NATURE PORTFOLIO. - 2052-4463. ; 10
- Related links:
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https://liu.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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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
- NATURVETENSKAP -- Data- och informationsvetenskap -- Datavetenskap (hsv//swe)
- NATURAL SCIENCES -- Computer and Information Sciences -- Computer Sciences (hsv//eng)
Publication and Content Type
- vet (subject category)
- art (subject category)
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To the university's database
- By the author/editor
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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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show more...
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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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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Computer and Inf ...
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and Computer Science ...
- Articles in the publication
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Scientific Data
- By the university
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Linköping University