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Dassault Systèmes acquires COSMOlogic

The acquisition of COSMOlogic by Dassault Systèmes adds to the continuing integration of specialised providers of chemistry and materials modelling technologies into larger corporations. Other examples include the acquisition of QuantumWise by Synopsys and e-Xstream by MSC software. As the announcement states, COSMOlogic is about “Accurate Predictive Thermodynamics Modeling“. Why is this interesting for industry?

The design and optimisation of chemicals, materials and processes relies on reliable and robust property data for increasingly complex systems.  Predictive modelling creates value basically in two ways: support innovation by means of insights and deeper understanding and predict properties of chemicals and materials that are otherwise hard or costly to get. COSMOlogic offers in particular the latter: reliable, robust data that can be used to design and optimise systems such as chemical processes, as for example demonstrated in a case study on Identification of Solvents for Extractive Distillation.

In fact, similar arguments could be made for the other acquisition success stories. E-Xstream provides properties of composites at the detailed material level that are required to design and optimise manufacturing and products. QuantumWise enables not only insights but also advanced electronic material data required to in next generation TCAD. It will be interesting to see how integration story continues.

Towards a Digital Materials Alliance for European industry

Goldbeck Consulting is pleased to organise a session at the the EU Industry Days, 5/6 February 2019, the flagship EU event on industrial policy. The conference will include various sessions organised by different Commission departments and industrial stakeholders. High profile industry speakers will attend the event with the purpose of influencing and inspiring future industry leaders, and prompting discussion and debate amongst different audience categories.

The session on Digital Materials will take place on 6 February and discuss a range of questions including

  • How to increase European manufacturing and process industry capacity to extract knowledge from data?
  • How to support leadership by digital transformation of data into knowledge?
  • What actions are proposed for a common semantic knowledge base in materials?
  • How can efforts to build ontologies in various domains of materials and manufacturing be combined for best effect?
  • How to achieve that manufacturing companies remain competitive (new products, high-added value) on the basis of knowledge extracted from wide-spanning data sets?
  • How to promote European benefits from data management, standardised documentation enabling interoperability and linking tools for enriching and enhancing the usability of data?

The session will feature contributions from a range of experts including:

  • Martin Winter, Innovation Manager, Cefic Innovation, Advisory Group & Digital Technologies, European Chemical Industry Council.
  • Riikka Virkkunen, VTT Digitalising Industries Manager, EFFRA board member.
  • Ulrike Sattler, Professor of Computer Science, University of Manchester.
  • Tim Dahmen, Team Leader, German Research Centre for Artificial Intelligence, Co-author of https://www.
  • Hedi Karray, INP Toulouse, Industrial Ontologies Foundry

Registration for the conference is free.

IntOp2018: EMMC Workshop on Marketplaces and Interoperability

Join peers from a wide range of backgrounds sharing an interest in materials digitalisation, from digital online marketplaces for materials modelling to interoperability and ontologies at IntOp2018, organised by the European Materials Modelling Council (EMMC) on 6-7 November in Freiburg im Breisgau, Germany.

Materials Modelling Marketplaces are next generation systems integrating tangible and intangible materials model components to support enhanced innovation. These digital marketplace take advantage of recent advances in information technologies to establish online innovation platforms to explore, learn, and create advanced materials modelling solutions covering all models and domains.

Wider interoperability across models and data is key to enhanced integration, marketplace and digitalisation. It requires agreement based on ontologies for materials,  including characterisation, modelling, processing of materials as well as data, models and services.

The workshop will discuss the establishment of a digital single marketplace as innovation hub for the advancements of materials based industries. The workshop addresses both key technological and organisational human capital gaps. 

The EMMC is seeking support of the entire community for the establishment of common standards for access to all online materials modelling resources including data repositories of materials properties, online modelling workflows, translation, education and training services.

The workshop will also host a kickoff session for the International Materials Ontology Interest Group led by the EMMC.

For further details and registration, see the EMMC website.

Impacts of Materials Modelling Webinar

What is materials modelling good for?
This webinar examines the impact materials modelling makes, both on a macro-economic and organisational level. In particular, the wide range of impact types and mechanisms will be discussed, based on evidence from surveys and interviews with users. It will be argued that a much wider potential remit for modelling should be considered than is commonly done.

In the light of these impact mechanisms, ways of measuring and increasing impact are discussed. Setting and assessing impact levels is shown to be important, and in this context a maturity model will be introduced. Higher levels of maturity are associated with integration and optimisation and set the scene for modelling as a key factor impacting on digitalisation.

CEN Standard on Materials modelling – terminology, classification and metadata

The CEN (European Committee for Standardization) Workshop Agreement CWA 17284 “Materials modelling – terminology, classification and metadata”  described in an earlier post has been published. Here is the Abstract:

This CWA includes definitions of fundamental terms for the field of materials modelling and simulation. Computational materials models in this CWA are understood to be physics-based models. This CWA does not include data-based models. The definitions enable a classification of materials models. Using the entity and physics equation concepts, leads to a relatively small number of distinct materials models replacing the current situation of opacity of materials models and simulations that make the field hard to access for outsiders. This CWA also provides a systematic description and documentation of simulations including the user case, model, solver and post-processor: the “materials MOdelling DAta” (MODA). This document seeks to organize the information so that even complex simulation workflows can be conveyed more easily and key data about the models, solvers and post-processors and their implementation can be captured. A template MODA for physics-based models is described in order to guide users towards a complete documentation of material and process simulations. The CWA is based on the Review of Materials Modelling (RoMM). A MODA for data-based models can be found in the RoMM.

This document provides the basis for moving the materials modelling field up the semantic spectrum, laying the foundation for knowledge organisation achieved in many other fields (see e.g. the Osthus presentation “From Big Data to Big Analysis” given at the EMMC Workshop on Interoperability in Materials Modelling). It lays the foundation for developing and ontology of materials modelling, enabling interoperability, reasoning and knowledge extraction in the materials science domain.

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.

Draft Agenda

7th November 2017

10:00 – 10:30      Arrival, Refreshments

10:30 -10:40       Introduction to the Workshop
Gerhard Goldbeck (Goldbeck Consulting Ltd) and Adham Hashibon (Fraunhofer IWM)

Session 1: Status and requirements for interoperability

10:40 -11:00       Data and modelling integration at Dow
Hein Koelman (Dow Chemical)

11:00- 11:20       Materials Modelling and Interoperability – Siemens PLM Vision
Stijn Donders (Siemens PLM)

11:20 – 11:40      Ontology requirements for software realisation
Wolfgang Wenzel (KIT and Nanomatch)

11:40 – 12:00      Augmenting measurements data with physico-chemical simulation for a non-road machine application
Amit Bhave (CMCL Innovations)

12:00 – 12:30      Interoperability  approaches and implementations in current EU Projects
Borek Patzak (Czech Technical University; CompoSelector Project), Adham Hashibon (Fraunhofer IWM, FORCE Project), Jesper Friis (SINTEF, NanoSim Project)

12:30 – 13:30      Lunch

Session 2: Ontologies for interoperability

13:30 – 14:00      Introduction to the Industry Ontologies Foundry
Barry Smith (University of Buffalo)

14:00 – 14:45      Big Data Transforms Into Big Analysis: The Convergence of Formal Semantics & Data Science in Life Sciences
Eric Little (Osthus)

14:45 – 15:15      Ontologies and rule-based knowledge in Knowledge-Driven Optimization
Piotr Maciol (AGH University of Science and Technology, Krakow)

15:15 – 15:45      Break

15:45 – 16:15      European Materials Modelling Ontology (EMMO)
Emanuele Ghedini (University of Bologna), Adham Hashibon (Fraunhofer IWM), Jesper Friis (SINTEF), Gerhard Goldbeck (GCL), Georg Schmitz (ACCESS), Anne de Baas (EC DG RTD NMBP)

16:15 – 17:15      Interoperability Discussion and Action planning
Moderator: Gerhard Goldbeck

19:30 – 21:30      Dinner at Hilton Hotel Cambridge                           

8th November 2017

Session 3: Data and documentation

09:00 – 09:30      Materials Modelling Data and Documentation: terminology, classification and ontology towards Digital Single Market
Anne de Baas (EC DG RTD NMBP)

09:30 – 10:00      Simulation documentation with Materials Modelling data tables (MODA): portal demo
Adham Hashibon (Fraunhofer IWM)

10:00 – 10:30      NOMAD Metadata for all
Fawzi Mohamed (Fritz-Haber-Institut and NOMAD Project)

10:30 – 11:00      Coffee break

Session 4: Materials Modelling Marketplaces

11:00 – 11:30      Workflows and data integration, vision and sustainability
Nicola Marzari (EPFL)

11:30 – 12:00      On system thinking, knowledge synthesis and data-driven analytics
Katya Vladislavleva (DataStories Int.)

12:00 – 12:30      European Materials Modelling Marketplaces
Welchy Leite Cavalcanti (Fraunhofer IFAM, VIMMP Project), Adham Hashibon (Fraunhofer IWM, MarketPlace Project), Gerhard Goldbeck (GCL), Nicola Marzari (EPFL, MaterialsCloud), Sergio Lopez Lopez (SCM, Fortissimo Project)

12:30 – 13:30      Lunch

13:30 – 14:00      Connecting to infrastructure
Jörg Meyer (Steinbuch Centre for Computing, KIT)

14:00 – 14:30      Building a materials modeling marketplace: challenges for SME’s and research organisations
Didrik Pinte (Enthought)

14:30- 15:15       Panel on Materials Modelling Marketplaces including ontology, repository, workflow management, curation and sustainability
David Cebon (Granta Design), Eric Little, Katya Vladislavleva, Welchy Leite Cavalcanti, Nicola Marzari, Adham Hashibon;
Chair: Anne de Baas

15:15 – 16:00      Marketplaces Discussion and Action planning
Moderator: Adham Hashibon

16:00 – 16:15      Closing remarks
Gerhard Goldbeck, Adham Hashibon, Anne de Baas


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: