Materials Data Science Ontology(MDS-Onto): Unifying Domain Knowledge in Materials and Applied Data Science
Ontologies have gained popularity in the scientific community as a way to standardize terminologies in organizations' data. Although certain cohorts have created frameworks with rules and guidelines on creating ontologies, there exist significant variations in how Materials Science ontologies are currently developed. We seek to provide guidance in the form of a unified automated framework for developing interoperable and modular ontologies for Materials Data Science that simplifies the ontology terms matching by establishing a semantic bridge up to the Basic Formal Ontology(BFO). This framework provides key recommendations on how ontologies should be positioned within the semantic web, what knowledge representation language is recommended, and where ontologies should be published online to boost their findability and interoperability. Two fundamental components of the MDS-Onto framework are the bilingual package called FAIRmaterials for ontology creation and FAIRLinked, for FAIR data creation. To showcase the practical capabilities of FAIRmaterials, we present two exemplar domain ontologies of MDS-Onto: Synchrotron X-Ray Diffraction and Photovoltaics.
Authors
- Quynh Tran (ORCID: https://orcid.org/0009-0006-4025-1834)
- Benjamin G. Pierce (ORCID: https://orcid.org/0000-0002-9080-4584)
- A.R. Bradley (ORCID: https://orcid.org/0000-0002-0881-3490)
- Raymond Wieser (ORCID: https://orcid.org/0000-0003-1531-6430)
- Erika I. Barcelos (ORCID: https://orcid.org/0000-0002-9273-8488)
- Kristopher O. Davis (ORCID: https://orcid.org/0000-0002-5772-6254)
- Arafath Nihar (ORCID: https://orcid.org/0000-0003-4826-290X)
- Brian Giera (ORCID: https://orcid.org/0000-0001-6543-7498)
- Donald W. Brown (ORCID: https://orcid.org/0000-0003-4565-8212)
- Pawan K. Tripathi (ORCID: https://orcid.org/0000-0002-8604-7744)
- Hayden W. Caldwell
- Van De Tran (ORCID: https://orcid.org/0000-0003-0421-5079)
- Mengjie Li (ORCID: https://orcid.org/0009-0009-5401-863X)
- Laura S. Bruckman (ORCID: https://orcid.org/0000-0003-1271-1072)
- Roger H. French (ORCID: https://orcid.org/0000-0002-6162-0532)
- Daniel J. Savage (ORCID: https://orcid.org/0000-0001-9973-2030)
- Gabriel Ponon (ORCID: https://orcid.org/0000-0002-9366-6199)
- Jarod Kaltenbaugh (ORCID: https://orcid.org/0009-0007-4576-7714)
- Jonathan E Gordon (ORCID: https://orcid.org/0009-0007-5958-7386)
- Christian López (ORCID: https://orcid.org/0000-0001-5399-4326)
- Yinghui Wu (ORCID: https://orcid.org/0009-0002-2031-6494)
- Weiqi Yue (ORCID: https://orcid.org/0009-0007-8623-579X)
- Hemant Sharma
- Mohommad Redad Mehdi (ORCID: https://orcid.org/0000-0002-0593-5222)
- Jiana Kambo
- Kiefer Lin
- Balashanmuga Priyan Rajamohan
- Ozan Dernek
Institutions
- University of Central Florida (US)
- Argonne National Laboratory (US)
- Lawrence Livermore National Laboratory (US)
- Los Alamos National Laboratory (US)
- Marine Stewardship Council (GB)
- University Hospitals Cleveland Medical Center (US)
- Center for Advancing Health (US)
- Institute for Sustainable Development (ET)
- Case Western Reserve University (US)
Publication Details
- Journal
- Scientific Data
- Published
- 2025-04-15
- DOI
- https://doi.org/10.1038/s41597-025-04938-5
- Citations
- 8
- Primary Topic
- Semantic Web and Ontologies
- Type
- article
- Field-Weighted Citation Impact
- 19.85
Funders
- National Science Foundation
- U.S. Department of Energy
- Case Western Reserve University
- Office of Science
- Office of Energy Efficiency and Renewable Energy
- National Nuclear Security Administration
- Office of Defense Nuclear Security
- Solar Energy Technologies Office
- Office of Energy Efficiency
- Argonne National Laboratory
- Lawrence Livermore National Laboratory
- Los Alamos National Laboratory