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EMMC Materials Modelling BROKERAGE EVENT 2017

A specific session in the Industrial Innovation Info Days 2017 dedicated to the Materials Modelling and Characterisation will take place in the afternoon of 4 October. It will be followed by a brokerage and networking event, supported by the European Materials Modelling Council (EMMC), during which interested stakeholders will have the opportunity to present their initial project ideas for the 2018-19 Materials Modelling related calls  and meet potential partners.

Should you be interested in presenting a project idea, please send an email to (Subject: EMMC Materials Modelling BROKERAGE EVENT 2017) by September 25, indicating your name, the name of your company/institute, the title of your project and the reference of the call topic addressed. We strongly recommend to use this Template to prepare your presentation.

Please note that registration for the Industrial Innovation Info Days and Brokerage events is mandatory and seats are allocated on a first-come-first-served basis!

Registration site:

Matchmaking registration page:

More information:

Live streaming available!

Web streaming links for all the plenary and the parallel sessions are availabe and published on the event’s website:


Submitted project ideas on material modelling topics


Selected for presentation:

DigiP3-University of LeedsV2

Extension of COSMOtherm to electrolyte solutions-COSMOlogic


Other submitted project ideas:

Batteries for Electric Vehicles_EMMC_NMBP09_VUB

Coupled molecular dynamics modelling through on demand…-TRELOGICv1

Electrochemical Energy Converters-SCAI-Fraunhofer


Implementation of special materials models…20171004v2-GHPopovici



Solutions for a knowledge-based manufacturing of materials-CEIT-IK4

Specialty Materials Integrated Models-Culgi

WMG, Univ. Warwick



Submitted project ideas:

CRYSMOD-Grenoble INP, SIMAP laboratory

Development of an integrated platform to allow efficient access…Tiberlab

Finding out optimal conditions for hydrothermal….Stockholm University

Innovative methods of preventing riskof corrosion…Silesian University of Technology

VIRTualEXplorationof Molecular Energy Conversion Materials-Eindhoven University of Technology

EMMC E-MRS Fall Meeting 2017 Workshop on BDSS

Integration of materials modelling into business decision: Approaches, Models and Licenses

An EMMC-Workshop within E-MRS Fall Meeting 2017. September 18th 2017, Warsaw

The main focus of the Workshop is to find strategies for successful integration of materials modelling into industrial decision-making based on efficient translation. The application of different models for complex solution of the problems for different business applications will be demonstrated during the workshop. The Workshop brings together software owners and academic model developers, and shows the importance respectively benefits of material modelling for industrial innovation.

Material modelling plays a key role for the development of new materials and products. This is a response to the societal needs, challenges and for ensuring competitiveness of European market. The use of modelling for business decision is cost-effective and it helps to reduce the numbers of tests and experiments.

Obstacles of integration of different approaches and related material models into value chains will be discussed and analysed by means of some examples from experienced software owners and academic model creators.

The goal of the Workshop is to understand the role of so-called translators. Translation has strong emphasis within the EMMC activities. Required Translators are multi-talent people (so-called “solution architect” or “project driver”) who understand, analyze and perform modelling solutions for industrial problems. They are primary players at the interface between industrial end-users on the one hand and software owners / model creators on the other hand. Translators support the usage of materials modelling in industrial R&D to the same level as experiments are used today.

The workshop has the additional goal to boost networking of European and International stakeholders and to provide a communication platform across different communities.

The second focus of the workshop belongs to education. The software owners and model developers will present their strategies for implementation of modelling into industrial problems as well as models capabilities for the specific (focused) industrial cases. Aspects of licensing for different stakeholders will be explained.

Chair: Dr. Natalia Konchakova (Helmholtz-Zentrum Geesthacht, GERMANY)


Dr. Denka Hristova-Bogaerds (Dutch Polymer Institute, NETHERLANDS). 

Dr. Daniel Höche (Helmholtz-Zentrum Geesthacht, GERMANY) and 

Prof. Dr. Pietro Asinari (Politecnico di Torino, ITALY)

The workshop is supported by the European Materials Modelling Council| | EMMC-CSA EU project, Grant Agreement No. 723867




Integration of materials modelling into business decision:

Approaches, Models and Licenses

September 18th 2017, Warsaw, E-MRS Fall Meeting

Event Location: room 231, Main Building

09:00 – 9:30 Welcome and presentation of EMMC Translation/Training activity

by Natalia Konchakova (Helmholtz-Zentrum Geesthacht, GERMANY)

09:30 – 10:15 Unit 1Advanced composite materials/ nanocomposites for industrial use: modelling challenges and translation experience

Impulse presentation # 1 by Ronan Le Goff (IPC, FRANCE)

Impulse presentation # 2 by Roger Assaker (e-Xstream Engineering, LUXEMBOURG)

10:15 – 10:30 Coffee Break

10:30-11:10 Unit 2 – Materials modelling for electronic devices / sensors: successful translation expertise and modelling aspects

Impulse presentation # 1 by Tomasz Krupicz (Comsol Multiphysics, GERMANY)

Impulse presentation # 2 by Tobias Neumann (Nanomatch GmbH, GERMANY)

11:10-11:15 Break

11:15-12:00 Unit 3 – Effective translation strategy and materials model creation for Energy & Funktional Materials

Impulse presentation # 1 by Thierry Deutsch (Laboratoire de Simulation Atomistique, CEA, Grenoble, FRANCE)

Impulse presentation # 2 by Daniele Stradi (QuantumWise A/S, DENMARK)

12:00-12:30 Conclusion (morning session) and discussion

12:30-14:00 Lunch break

14:00-14:30 Unit 4 -Hydrides for Energy Storage: modelling approaches and translation realization

Impulse presentation by Marcello Baricco (University of Turin, ITALY)

14:30-15:00 Conclusion and discussion

15:00 – 15:15 Coffee Break

15:20-open- Tutorial / Training: test use of models and discussion the capabilities of models for the end specific (focused) industrial cases, licenses for academics and industry.

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).

Materials Modelling for Toxicity – 2016

The EMMC endorses the modelling activities in the Roadmap on Toxicity: “Promoting the use of physics/chemistry-based materials modelling in assessing nanotoxicity for health and medicine”. The document was prepared by an expert group and consolidated during a meeting held in Brussels on April 19th 2016. Goal of the document is preparing an operational proposal for the next EMMC Road Map Meeting about 2018-2020 on May 20th 2016 (

The full document can be found here: MaterialsModelling-for-Nanotoxicity_2016-05-16_v08


International Cooporation Workshop

The International Collaboration Workshop, 24-25.Septermber 2015, at Covent Garden, Brussels, Belgium

Unit D3 – Advanced Materials and Nano Technologies of the European Commission and the European Materials Modelling Council EMMC have organised a two-day International Workshop in order to explore the opportunities for International Cooperation between South Korea, Japan, USA and the EMMC.

The EMMC would like to thank all our international partners for the great discussions.

The EMMC wiki is being migrated to a new server with added functionality

We are about to start moving the EMMC wiki content to a new server (the same as

In the meantime, all pages will be viewable but not editable until the move is over.

After the move is complete we shall then reopen the accounts and you will receive a new password.

You may have also noticed in the past few days that the public website has undergone an upgrade and a move to a new site as planned and announced in the November Meeting. We have almost completed copying all pages (except for the registration which will be activated once the new wiki is ready).

Both sites will be still accessible at the same addresses as before ( and

EMMC revises its Roadmap for Materials

The first revision of the consolidated EMMC Roadmap for Materials Modelling is released with small revisions to the Translators section, table of contents and some minor corrections.

ICME2016 Workshop

The ICMEg consortium announces the date and venue for the “Second Workshop on Software Solutions for ICME” to be held on 12-15 April, 2016 in Barcelona, Spain. [9.3.2015]

Copyright © 2017. The European Materials Modelling Council.