Domain-specific metadata standardization in materials modelling

Autor: Horsch, Martin Thomas, Francisco Morgado, Joana, Goldbeck, Gerhard, Iglezakis, Dorothea, Konchakova, Natalia A., Schembera, Björn
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Horsch, M.; Morgado, J.; Goldbeck, G.; Iglezakis, D.; Konchakova, N.; Schembera, B.: Domain-specific metadata standardization in materials modelling. In: Domain Ontologies for Research Data Management in Industry Commons of Materials and Manufacturing (DORIC-MM 2021). 2021. 12-27. (DOI: /10.5281/zenodo.5243214)
DOI: 10.5281/zenodo.4571053
Popis: Domain-specific metadata standards, including ontologies, markup languages, and technical interface specifications, are a necessary component of solutions for FAIR research data management with industrial applications. The Workshop on Domain Ontologies for Research Data Management in Industry Commons of Materials and Manufacturing (DORIC-MM 2021) discusses the state of the art, challenges, and perspectives for continuing innovation in this field. The present work comments on the landscape of semantic assets in the field of materials modelling, covering electronic, atomistic, mesoscopic, and continuum methods. Summaries are given of particularly promising lines of work, including the CAPE-OPEN interface standard, the XML schemas EngMeta, CML, and ThermoML, and the ontologies OntoCAPE, Metadata4Ing/Metadata4HPC, OSMO (the ontology version of MODA) and the VIMMP system of ontologies, and the domain-level modules of the Elementary Multiperspective Material Ontology (EMMO). For future work, it is recommended to emphasize advancing in accordance with five principles: 1. Diversification of technologies; 2. Observation of practices; 3. Realistic objectives; 4. Incentives for providing citable data and software; 5. Co-design of simulation and data technology.
pp. 12 - 27 in Proceedings of DORIC-MM 2021, UKRI STFC, Daresbury, 2021. This work was supported by activities of the Innovation Centre for Process Data Technology (Inprodat e.V.), Kaiserslautern. The co-authors M.T.H. and B.S. acknowledge funding from the German Research Foundation (DFG) through the National Research Data Infrastructure for Catalysis-Related Sciences (NFDI4Cat), DFG project no. 441926934, and the co-author D.I. through the National Research Data Infrastructure for Engineering Sciences (NFDI4Ing), DFG project no. 442146713, both within the National Research Data Infrastructure (NFDI) programme of the Joint Science Conference (GWK). The co-authors G.G. and N.A.K. acknowledge funding from the European Union's Horizon 2020 research innovation programme (H2020) under grant agreements no. 723867 (EMMC-CSA) and 862136 (OntoTrans), and the co-author J.F.M. acknowledges funding from H2020 under grant agreement no. 958371 (OntoCommons). Simon Stephan is acknowledged for bringing up the suggestion to write a manuscript along the lines of the present work.
Databáze: OpenAIRE