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The materials design ontology
Linköping University, Department of Computer and Information Science, Database and information techniques. Linköping University, Faculty of Science & Engineering. The Swedish e-Science Research Centre, Linköping University, Sweden; Department of Building Engineering, Energy Systems and Sustainability Science, University of Gävle, Sweden.ORCID iD: 0000-0002-9084-0470
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. The Swedish e-Science Research Centre, Linköping University.ORCID iD: 0000-0002-5571-0814
Linköping University, Department of Computer and Information Science, Database and information techniques. Linköping University, Faculty of Science & Engineering. The Swedish e-Science Research Centre, Linköping University.ORCID iD: 0000-0003-1881-3969
Linköping University, Department of Computer and Information Science, Database and information techniques. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-1741-2090
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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, Data Integration, Materials Science, Materials Design Ontology
National Category
Computer Sciences
Identifiers
URN: urn:nbn:se:liu:diva-198433DOI: 10.3233/sw-233340ISI: 001212197500009OAI: oai:DiVA.org:liu-198433DiVA, id: diva2:1804357
Funder
CUGS (National Graduate School in Computer Science)Swedish Research Council, 2018-04147Swedish Agency for Economic and Regional GrowthSwedish e‐Science Research Center
Note

Funding Agencies|Swedish e-Science Research Centre (SeRC); Swedish National Graduate School in Computer Science (CUGS); Swedish Research Council (Vetenskapsradet) [2018-04147]; Swedish Agency for Economic and Regional and Growth (Tillvaxtverket)

Available from: 2023-10-12 Created: 2023-10-12 Last updated: 2024-05-24Bibliographically approved

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Lambrix, PatrickArmiento, RickardLi, HuanyuHartig, OlafAbd Nikooie Pour, MinaLi, Ying

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