Author Archives: Adham Hashibon

EMMC Workshop on Interoperability in Materials Modelling


Date: 7-8 November 2017

VenueSt 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. However, the routes to utilising materials modelling and achieving impact can be arduous. For wider use and increased impact, it must become easier to combine and connect different models and codes as well as models, workflows and data. Also, connections and routes in between different actors require improvement, calling for ‘digital marketplaces’ where the different stakeholders can interact more easily. 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 workflows with syntactically based scripting. It calls for interoperability solutions that are based on 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 and related fields, 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.


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 – 12:10      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)

12:10 – 12:30    Discussion on Session 1

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 – 14:30      Big Data transforms into Big Analysis: the convergence of Formal Semantics & Data Science in Life Sciences
Heiner Oberkampf (Osthus)

14:30 – 14:50      Ontologies and rule-based knowledge in Knowledge-Driven Optimisation
Piotr Maciol (AGH University of Science and Technology, Krakow)

14:50 – 15:10      Using ontology to augment measurements data with physico-chemical simulation for industrial application
Amit Bhave (CMCL Innovations)

15:10 – 15:30      Discussion

15:30 – 16:00      Break

16:00 – 16:30      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)

16:30 – 17:30      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
Guido Smits (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 modelling 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:


  • Closest airport: London Stansted, with regular train and coach connections to Cambridge
  • Closest Railway Station (to venue): Cambridge North (1 mile from St Johns Innovation Centre)
  • St John’s Innovation is a 10-15 minute Taxi ride from the City Centre
Please find more detailed travel information here!!


There are many hotel options available, for example:

Participants looking for guesthouses or college accommodation may check the following

Event Funding and Sponsors


This event has received funding via the EMMC-CSA Project from the European Union’s Horizon 2020 Research and Innovation Programme under Grant Agreement No 723867



The National Centers of Competence in Research (NCCR) are a research instrument of the Swiss National Science Foundation



1st EMMC International Work Shop: Discussion Notes

These are the Discussion Notes that will guide the sessions in the The First EMMC International Workshop 2017.  Feedback will be collected in the first step during the workshop, then, in the second step, feedback will be open to all members of the EMMC. If you would like to participate please Register to the EMMC!

Discussion Notes 1st EMMC International Workshop 2017  (in one PDF document).

EMMC Translator Cases

The EMMC is collecting Tranlation case studies from various organisations active in the field of Translation of industrial cases into materials modelling. These case studies will be published regularly on the EMMC website (see the translation WG page at:

If you would like to collaborate with the EMMC translation working group to produce and publish such case studies with the EMMC from your organisation, please contact Denka Hristova-Bogaerds, the operational team manager of the Translation WP and member of EMMC-CSA.


  1. ITAINNOVA experience as a materials modelling translator. First Published on 3.1.2017.

Updated MODA and Workflow Templates are available

The updated MODA and Workflow Templates V3 are published on emmc.infi and can be downloaded from this page:


CEN Workshop to establish common terminology in materials modelling

EMMC, in collaboration with the MODENA project (, has coordinated the organisation of a CEN Workshop on materials modelling terminology, classification and metadata. The kick-off meeting will take place on January 17-18, 2017 in Brussels. A common terminology in materials modelling should lead to simplified and much more efficient communication and lower the barrier to utilising materials modelling. The end result is the adoption of a CEN Workshop Agreement (CWA), a best practices document for further standardisation efforts and input for the development of a future certification scheme.

More information about the workshop and how to get involved can be found directly on the CEN website under the following link:


Version 6 of the RoMM is now available.

Version 6 of the Review of Materials Modelling (RoMM 6) is now published on the bookshop website of the EC.

The direct link is:–pbKI0616197/?CatalogCategoryID=lR4KABst5vQAAAEjxZAY4e5L

Based on the analyses of modelling done in projects in the H2020 and via numerous discussions with the field, this review aims to define the necessary concepts and to classify them.

This Review proposes names for these concepts which harmonise the language of modelling subfields.

The common language is hoped to foster dialogue and mutual understanding between industrial end-users, software developers and theoreticians. This common language can in the future form the basis for an ontology with a formal language of materials modelling and a definition of the relation between the concepts.

Such an ontology can then be a basis for metadata development necessary for a Modelling Market Place.

The scope and achievements of the modelling in 36 projects are presented with this harmonised language.

For a review of modelling in 100  projects funded in the 7th Framework Programme (2007-2013) by the NMP Programme we refer to the fifth version of this Review.

EMMC Newsletter 01/2016

The EMMC-CSA publishes its first Newsletter summarising its activities in 2016 including the kick-off meeting, workshops, and the new edition of the Review of Materials Modelling (RoMM, version VI).


The First EMMC International Workshop 2017

European Materials Modelling Council (EMMC), a European network to coordinate the integration of materials modelling activities in Europe and support industrial uptake, is organising the

1st EMMC International Workshop 2017
Date: 5-7 April 2017
Location: Vienna, Austria

The workshop has the goal to boost the networking of European and International stakeholders and to provide a communication platform across different stakeholder communities. It will support different type of stakeholders to provide their input on the future materials modelling.

The Workshop is an ‘invitation-only’ event for about 80 European and International Experts to discuss and contribute in setting a common direction among stakeholders in areas ranging from materials model development, interoperability, metadata, repositories and marketplaces, software development and industrial deployment, best practices for business decision support tools, to articulating economic impact.


  • Barriers or breakthroughs? Towards better models in the chemical and semiconductor electronics industrial sectors
  • Vocabulary and taxonomy for improved community integration, communication and interoperability
  • Translation in practice
  • Barriers or breakthroughs? Towards better models in the metallurgical and automotive industrial sectors
  • Ontologies and Metadata schema and their implementations
  • Getting SMEs more involved in materials modelling
  • Barriers and breakthroughs: Bridging the communication and expectation gaps between model developers and industrial stakeholders
  • Pragmatic approaches to interoperability: Implementations, realisations, scenarios of practical relevance
  • Translation in practice: What we can learn from big companies?
  • Translation & training in practice: What we can learn from software owners?
  • Repositories of materials (modelling) data and knowledge: design and use
  • Success stories and how to widen success throughout European industry
  • Joint Session on Marketplaces: The need for Marketplace services: Requirements from stakeholders (model developers, translators, software owners and end users)
  • Training in practice: What can we learn from model developers?
  • Industrial deployment of materials modelling software: Current practice, constraints and barrier
  • Integration of materials modelling into Business Decision Support Systems
  • Synergy with national Modelling Translation Activities
  • Industrial deployment of materials modelling software: The way forward
  • Economic impact of Materials Modelling

Additional information

Venue: Hotel Courtyard Wien Prater/Messe, Trabrennstraße 4, 1020 Vienna, Austria

Further details will be provided soon! A draft agenda is found here:1st-emmc-international-workshop-2017-draft-programme-13-12-2016

Announcement poster: emmc-international-workshop-information-201612-1-1

The EMMC-CSA Project Start and Kick-off Meeting

Press release 01/2016, November 8, 2016 (for original PDF please click here: press release 01-2016)


The EMMC is the Backbone of Materials Modelling Activities in Europe

Modelling is a key pillar underpinning the development of new materials and products responding to societal needs and challenges and for ensuring competitiveness of European industry in the 21st century. In order to integrate, coordinate and enhance their activities, a wide range of European stakeholders including manufacturing industries, software owners and academic modellers formed the European Materials Modelling Council (EMMC) in February 2014 as a bottom-up action. The EMMC enjoyed wide community support from all stakeholders including substantial participation of numerous Small and Medium as well as Large European Enterprises.

A New European Network to Coordinate and Support the Industrial Uptake of Materials Modelling in Europe

Now, in recognition of the importance of materials modelling for industrial innovation and the strength of Europe, a new Horizon 2020 project has been funded to augment and further boost the actions of the EMMC. The new European Materials Modelling Council Coordination and Support Action (EMMC-CSA) includes 15 partners and is coordinated by TU Wien.

The EMMC-CSA will strengthen the EMMC and increase its engagement with the European community

EMMC-CSA stems directly out of the actions of the EMMC. It will continue and build upon its existing activities and charters and maintain and strengthen the EMMC as a bottom up action open to all stakeholders. The project organises EMMC workshops to collect and compile input from all stakeholders on the future needs and directions of materials modelling in Europe. The EMMC-CSA support setting a common direction among stakeholders in all areas including model development, interoperability and metadata, best practices for business decision support tools and articulating economic and business impacts.

The kick-off meeting of the EMMC-CSA was hosted by Fraunhofer IWM in the Fraunhofer office in Brussel on 26th and 27th of September 2016.

Copyright © 2017. The European Materials Modelling Council.