An Ontology for the Materials Design Domain

Li, Huanyu; Armiento, Rickard; Lambrix, Patrick

doi:10.1007/978-3-030-62466-8_14

Cited by 36 publications

(26 citation statements)

References 20 publications

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“…One example is ChEBI (Chemical Entities of Biological Interest), an ontology focused on chemical systems [16]. Another recent example is the Materials Design Ontology (MDO), an ontology defining concepts and relations useful to organize knowledge in the realm of materials design, with particular focus on solid-state physics [15]. It must be noted that despite a strong focus on specific use cases, concepts from these ontologies can in principle be reused in wider or slightly different domains.…”

Section: Related Workmentioning

confidence: 99%

“…A particularly relevant case is the European Materials Modelling Ontology (EMMO) [14]. Stemming from this seminal effort, many domain ontologies tailored for specific use cases were born [15,5,16]. However, for materials where aggregation properties at the molecular level are relevant, we can still face deficiencies in the development and application of structured knowledge.…”

Section: Introductionmentioning

confidence: 99%

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Molecular and Materials Basic Ontology: development and first steps

Piane¹,

Baldoni²,

Gáspari³

et al. 2022

Preprint

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Advanced materials and their applications have become a key field of research, and it looks like this trend is not going to change soon. For that reason, the need for systematic and efficient methods for organizing knowledge in the field and conduct computational or experimental investigations is stronger than ever. In this work, we present a basic implementation of MAMBO -an ontology for molecular materials and their applications in real-life scenarios. The development of MAMBO has been guided by the needs of the research community involved in the development of novel materials with functional properties, with particular attention to the nanoscale. MAMBO aims at extending the current work in the field, while retaining a modular nature in order to allow straightforward extension of concepts and relations to neighboring domains. Our work is expected to enable the systematic integration of computational and experimental data in specific domains of interest (nanomaterials, molecular materials, organic an polymeric materials, supramolecular and bio-organic systems, etc.). Moreover, MAMBO is developed with a strong focus on the applications of data-driven frameworks for the design of novel materials with tailored characteristics.

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Section: Related Workmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular and Materials Basic Ontology: development and first steps

Piane¹,

Baldoni²,

Gáspari³

et al. 2022

Preprint

View full text Add to dashboard Cite

show abstract

“…To date, some scientific papers have been published that relate MS to semantic interoperability using ontologies. The need for further research in this field has been expressed multiple times, e.g., in terms of "interoperability" as an issue to be addressed explicitly [31,[34][35][36][37] or implicitly using the terms "data integration" [38,39], "lack of uniformity, data selectivity" [40], or "conflicting terminologies between subfields, inconsistent recording practices" [41].…”

Section: The Use Of Ontology Engineering In Materials Sciencementioning

confidence: 99%

An Ontology-Based Approach to Enable Data-Driven Research in the Field of NDT in Civil Engineering

et al. 2021

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Although measurement data from the civil engineering sector are an important basis for scientific analyses in the field of non-destructive testing (NDT), there is still no uniform representation of these data. An analysis of data sets across different test objects or test types is therefore associated with a high manual effort. Ontologies and the semantic web are technologies already used in numerous intelligent systems such as material cyberinfrastructures or research databases. This contribution demonstrates the application of these technologies to the case of the 1H nuclear magnetic resonance relaxometry, which is commonly used to characterize water content and porosity distribution in solids. The methodology implemented for this purpose was developed specifically to be applied to materials science (MS) tests. The aim of this paper is to analyze such a methodology from the perspective of data interoperability using ontologies. Three benefits are expected from this approach to the study of the implementation of interoperability in the NDT domain: First, expanding knowledge of how the intrinsic characteristics of the NDT domain determine the application of semantic technologies. Second, to determine which aspects of such an implementation can be improved and in what ways. Finally, the baselines of future research in the field of data integration for NDT are drawn.

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“…The most relevant contribution to the field has been provided by the development of the European Materials Modelling Ontology (EMMO) [16], which is still in progress. Beside that, domain ontologies for specific use cases related to materials also began to be developed [17]. Indeed, the broad scope of the research on materials requires an extensive work covering a manifold of different aspects and knowledge.…”

Section: Introductionmentioning

confidence: 99%

“…Indeed, the broad scope of the research on materials requires an extensive work covering a manifold of different aspects and knowledge. In this context, recent work has addressed specific application domains, such as simulations of crystalline materials or single-molecule systems [17,5,18]. However, attempts in the organization of knowledge focused on materials where aggregation properties at the molecular level are relevant seem to still be lacking.…”

Section: Introductionmentioning

confidence: 99%

Introducing MAMBO: Materials And Molecules Basic Ontology

Piane¹,

Baldoni²,

Gáspari³

et al. 2021

Preprint

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Recent advances in computational and experimental technologies applied to the design and development of novel materials have brought out the need for systematic, rational and efficient methods for the organization of knowledge in the field. In this work, we present the initial steps carried out in the development of MAMBO -an ontology focused on the organization of concepts and knowledge in the field of materials based on molecules and targeted to applications. Our approach is guided by the needs of the communities involved in the development of novel molecular materials with functional properties at the nanoscale. As such, MAMBO aims at bridging the gaps of ongoing efforts in the development of ontologies in the materials science domain. By extending current work in the field, the modular nature of MAMBO also allows straightforward extension of concepts and relations to neighboring domains. Our work is expected to enable the systematic integration of computational and experimental data in specific domains of interest (nanomaterials, molecular materials, organic an polymeric materials, supramolecular and bio-organic systems, etc.). Moreover, MAMBO can be applied to the development of data-driven integrated predictive frameworks for the design of novel materials with tailored functional properties.

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An Ontology for the Materials Design Domain

Cited by 36 publications

References 20 publications

Molecular and Materials Basic Ontology: development and first steps

Molecular and Materials Basic Ontology: development and first steps

An Ontology-Based Approach to Enable Data-Driven Research in the Field of NDT in Civil Engineering

Introducing MAMBO: Materials And Molecules Basic Ontology

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