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The Materials Design Ontology
University of Gävle, Faculty of Engineering and Sustainable Development, Department of Building Engineering, Energy Systems and Sustainability Science, Energy Systems and Building Technology. Department of Computer Science, Linköping University; The Swedish e-Science Research Centre, Linköping University. (Energisystem)ORCID iD: 0000-0002-9084-0470
Department of Computer Science, Linköping University; epartment of Physics, Chemistry and Biology, Linköping University.
Department of Computer Science, Linköping University; The Swedish e-Science Research Centre, Linköping University.
Department of Computer Science, Linköping University.
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2024 (English)In: Semantic Web, ISSN 1570-0844, E-ISSN 2210-4968, Vol. 15, no 2, p. 481-515Article in journal (Refereed) Published
Abstract [en]

In the materials design domain, much of the data from materials calculations is stored in different heterogeneous databases with different data and access models. Therefore, accessing and integrating data from different sources is challenging. As ontology-based access and integration alleviates these issues, in this paper we address data access and interoperability for computational materials databases by developing the Materials Design Ontology. This ontology is inspired by and guided by the OPTIMADE effort that aims to make materials databases interoperable and includes many of the data providers in computational materials science. In this paper, first, we describe the development and the content of the Materials Design Ontology. Then, we use a topic model-based approach to propose additional candidate concepts for the ontology. Finally, we show the use of the Materials Design Ontology by a proof-of-concept implementation of a data access and integration system for materials databases based on the ontology.

Place, publisher, year, edition, pages
IOS Press , 2024. Vol. 15, no 2, p. 481-515
Keywords [en]
Ontology, Ontology development, Data access, Dataintegration, Materials science, Materials Design Ontology
National Category
Materials Engineering
Research subject
no Strategic Research Area (SFO)
Identifiers
URN: urn:nbn:se:hig:diva-41244DOI: 10.3233/SW-233340ISI: 001212197500009Scopus ID: 2-s2.0-85193584722OAI: oai:DiVA.org:hig-41244DiVA, id: diva2:1746569
Funder
Swedish Research Council, 2018-04147Available from: 2023-03-28 Created: 2023-03-28 Last updated: 2025-10-02Bibliographically approved

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Lambrix, Patrick

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