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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 European Materials and Modelling 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. ; Submitted to the DORIC-MM 2021 workshop. 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 ...

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 ...

The EMMC Translators Guide provides a vision for industrial users (Clients) how to benefit from a systematic materials modelling translation process, that covers translating an industrial need/challenge into a solution by means of materials modelling and simulation tools. The experts that are performing this process of providing a Translation service are called Translators in Materials Modelling. They often act as a team and propose an assistance and consulting for companies. Translator(s) can be either academics, software owners, independent consultants, modellers or code developers with the relevant expertise, and even be employees of the Client company. The EMMC Translation concept for materials modelling was collaboratively developed by engaged European Stakeholders from industry and academia in a bottom-up approach facilitated by the European Union and the EMMC within the EMMC-CSA project. The aim of the Translators Guide is providing Translators with an (orientation) basis which they may follow in an agile and personalised way, to facilitate and safeguard a successful and efficient mutually agreed workflow (course of action) in an industrially oriented modelling project. In the current contribution, we aim to further contextualise the Translators Guide with Translation scenarios that have evolved since the EMMC-CSA project ended in 2019. The interdisciplinary team of authors will give an outlook focussing on tools under development, opportunities upon maturing (learning by doing) and challenges from diversification that we expect to manifest in the 2020s.

Pragmatic interoperability between platforms and service-oriented architectures exists whenever there is an agreement on the roles of participants and components as well as minimum standards for good practice. In this work, it is argued that open platforms require pragmatic interoperability, complementing syntactic interoperability (e.g., through common file formats), and semantic interoperability by ontologies that provide agreed definitions for entities and relations. For consistent data management and the provision of services in computational molecular engineering, community-governed agreements on pragmatics need to be established and formalized. For this purpose, if ontology-based semantic interoperability is already present, the same ontologies can be used. This is illustrated here by the role of the "translator" and procedural definitions for the process of "translation" in materials modelling, which refers to mapping industrial research and development problems onto solutions by modelling and simulation. For the associated roles and processes, substantial previous standardization efforts have been carried out by the European Materials Modelling Council (EMMC ASBL). In the present work, the Materials Modelling Translation Ontology (MMTO) is introduced, and it is discussed how the MMTO can contribute to formalizing the pragmatic interoperability standards developed by EMMC ASBL. ; The co-author P.K. acknowledges funding from the European Union's Horizon 2020 research and innovation programme under grant agreement no. 721027 (FORCE), the co-author N.K. under grant agreement 723867 (EMMC-CSA), the co-authors S.C., M.T.H., M.A.S., and I.T.T. under grant agreement no. 760907 (VIMMP), and the co-authors N.A.K. and P.K. under grant agreement no. 952903 (VIPCOAT); the co-authors M.T.H. and B.S. acknowledge funding by the German Research Foundation (DFG) through the National Research Data Infrastructure for Catalysis-Related Sciences (NFDI4Cat), DFG project no. 441926934, within the National Research Data ...