EMMC Workshop on Interoperability in Materials Modelling

7-8 November 2017

St John’s Innovation Centre, Cambridge

Materials Modelling has become an essential part of research, development, engineering and upscaling of advanced materials in a wide range of industry sectors. Its success is based on a number of breakthrough and by now well established models and software tools originating from different scientific and engineering communities. Examples are Density Functional Theory, Phase Field Models and of course continuum mechanics and fluid dynamics based model. The impact of utilising these approaches has been widely documented in case studies and impact assessments. For many industrial applications, a combination of methods must be applied hence requiring more and more integration and interoperability, both in terms of software but also scientific aspects of the workflows (i.e. how the outputs from one model connect to the physics quantities of another model). Data required for and produced by simulations need to be managed and stored with appropriate metadata in order to enable their re-use and data analytics. Integration of materials modelling into the R&D enterprise in the age of Industry 4.0 requires the whole field to step back and work together on interoperability solutions that go much beyond stringing together some workflows with syntactically based scripting. It calls for interoperability solutions that are based in semantic approaches with metadata backed up by an ontology framework.


Purpose and objective of the workshop

The purpose is to discuss recent developments in interoperability approaches in materials modelling, following on from discussions at the First EMMC International Workshop (Notes from that event will be available to workshop delegates). In particular, the workshop will focus on semantic interoperability based on a future European Materials Modelling Ontology (EMMO). Definitions of some of the terms in such an ontology are the subject of a CEN Workshop Agreement.

Communication standards between models and databases will also be discussed, including initial requirements for cataloguing simulations in data repositories, and general requirements for Translation and Training components with a view to integration into future Materials Modelling Marketplaces.

EMMC is seeking support of the wider materials modelling community for the development of a European Materials Modelling Ontology as a basis for interoperability and domain specific metadata.



Representatives from the academic and industrial materials modelling community covering different types of models and applications, database repository owners and project representatives. The workshop is limited to 50-60 experts.

Format and Outline Agenda

7th November

Arrival mid-morning

Late Morning session: Terminology, Documentation of simulations in MODA templates and portal

Afternoon sessions: Ontologies: Basic Formal Ontology, Materials Ontology developments, draft EMMO

8th November

Morning sessions: Interoperability of models, interoperability of/with repositories, data curation

Afternoon sessions: Data Curation, Ontologies and interoperability for Marketplaces and their services.

Organisation and contact

EMMC partner Goldbeck Consulting Ltd manages the organisation of the workshop. For further information and to register your interest in participating, please contact:


See also: https://materialsmodelling.com/2017/08/04/emmc-workshop-on-interoperability-in-materials-modelling/

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