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EMMC Expert Meeting on Open source, free software and commercially supported software for materials modelling

Date – October 25-26, 2018

Venue – tba, Paris, France

One of the main objectives of the EMMC is increasing the use of materials modelling software in the European industry. As described in the attached document, the Paris meeting serves this objective by bringing together leading European software developers and stakeholders.

The expected contribution from the invited experts will be very short impulse talks (5-10 minutes) and participation in the following discussion.

The expected outcome of this Expert Meeting will be a report on the strengths and pitfalls of different models and recommendations to increase the impact of materials modelling in the European industry. This will be achieved by impulse talks by leaders in the field and by focused discussions.

More information on the event page …


Kurt Stokbro (Synopsys, Denmark), Volker Eyert & Erich Wimmer (MDS, France)


Event Funding

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

EMMC Expert Meeting on Coupling and linking

Workshop – Coupling and linking simulations – EMMC expert meeting and roadmap


November 8-9, 2018


CECAM-HQ-EPFL, Lausanne, Switzerland


Pietro Asinari (Politecnico di Torino, Italy)
Nicola Marzari (Swiss Federal Institute of Technology, Lausanne, Switzerland)

To event page for more information!





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

EC Workshop on “Industrial Commons as a Tool to Drive Innovation in Europe”

The EC DG Research & Innovation organised a workshop on “Industrial Commons as a Tool to Drive Innovation in Europe” on June 28, 2018 in Brussels.

European-funded R&I projects are cradles of innovation, producing large amounts of data that can be (re-)used. In this context, Industrial Commons may accelerate innovation and even spill over into complete new areas of the economy. Similar to traditional “commons”, e.g. land, water and air, goods that are used in common, Industrial Commons could mean R&D-derived knowledge, data, and capabilities shared across various industrial sectors. Industrial Commons potentially provide the means to take forward industrial project results and create new markets and new business models.

The EMMC was represented by Gerhard Goldbeck (Goldbeck Consulting) and Rudy Koopmans (Koopmans Consulting) gave a keynote speech on “The industrial perspective” within the session “Europe – A potential innovation powerhouse?”

Agenda & Workshop report are available on the event page!

EC Workshop on “Materials Ontology”

EC DG RTD organised a workshop for a large number of stakeholders to discuss Materials Ontologies. A wide range of experts found in the EC expert database were invited to send input in the form of three slides. Each expert who sent in input was invited to the meeting.  Some 130 people expressed an interest and 73 experts from 15 countries got together for a full day of presentations and discussions.

EMMC co-organised this event and and was represented by Alexandra Simperler (Goldbeck Consulting), Emanuele Ghedini (Univ Bologna), Gerhard Goldbeck (Goldbeck Consulting), Georg J. Schmitz (ACCESS), Chris Eberl (FRAUNHOFER, IWM), Rudy Koopmans (Koopmans Consulting) and Nadja Adamovic (TU WIEN).

Agenda & outcome report are available on the event page!

EMMC member, Pietro Asinari, has been selected for the OpenKIM Advisory Board

We would like to congratulate our EMMC member, Pietro Asinari, for the selection as a (and the only European) member of the OpenKIM Advisory Board.

The OpenKIM Advisory Board is pleased to announce that the new OpenKIM Advisory Board slate has been unanimously approved by the KIM membership.

The new Board is:

Prof. Pietro Asinari (Politecnico di Torino)
Dr. Laura Bartolo (Northwestern University)
Prof. Michael Baskes (Mississippi State University)
Dr. Betsy Rice (US Army Research Laboratory)
Dr. Sadasivan Shankar (Harvard University)
Dr. Aidan Thompson (Sandia National Laboratories)

Biographical details on the Board members are available at

Knowledgebase of Interatomic Models

OpenKIM is an online framework for making molecular simulations reliable, reproducible, and portable. Computer implementations of interatomic models are archived in OpenKIM, verified for coding integrity, and tested by computing their predictions for a variety of material properties. Models conforming to the KIM application programming interface (API) work seamlessly with major simulation codes that have adopted the KIM API standard.

Read more…

EMMC-Training for Translators within Joint ECCOMAS Conferences ECCM-ECFD 2018 – Update!

The EMMC-CSA working group for  Translation and Training for Companies was organizing the

The training was based on successful industrial Translation cases and a Translation Guide.  The EMMC provided demonstrations and recommendations for  effective translation of industrial challenges into materials modelling approaches. Complementary, the translation process of implementation into applied industrial modelling cases have been explained.

The goals of the EMMC-CSA Training:

to explain the possibilities for wider industrial adoption of the academic developed modelling,

to demonstrate successful cases of the material modelling use for tackling industrial problems,

to teach how to estimate the costs of the modelling support for industrial partners as well as how to describe Translation cases using the EMMC Translation Case template.


Presentations related to the EMMC-CSA Training for Translators you can find on the events page .





EMMC IRAG Online Meeting

First online meeting of the newly formed EMMC IRAG (Interoperability and Repositories Advisory Group) was held on June 21, 2018

The meeting was well attended (16 IRAG members and 5 EMMC-CSA members).
Following introductions, Alex Simperler gave an intro presentation on
Ontologies and Gerhard Goldbeck gave a brief outline of EMMO.

Find more information here!

EMMC @ c&en WEBINAR on Impacts of Materials Modelling



Our EMMC-CSA member Gerhard Goldbeck (Goldbeck Consulting Ltd) was invited to hold a

“c&en webinar” (chemical & engineering news) on Impacts of Materials Modelling on June 14, 2018.

The webinar has been recorded and will remain available via

the Chemical & Engineering News site of ACS.



What is materials modelling good for? The 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.

Target Groups

  • Modelling and simulation practitioners
  • Researchers and engineers
  • R&D Managers

Key Learing Objectives

  • Scope of materials modelling
  • Macro-economic-impact of the modelling field and micro-economic impact on organizations and their value chain
  • Impact types and mechanisms
  • Measuring impact
  • Setting targets
  • Increasing impact by stronger integration of modelling
  • Maturity level assessments

This webinar was brought to you by

EMMC @ 3rd Conference on Multiscale Modelling of Condensed Phase and Biological Systems (Manchester, UK)

The collaborative computational projects for biomolecular and condensed matter simulation, CCPBioSim and CCP5, held the 3rd international conference on the theme of multiscale modelling from 21st to 23rd of May 2018 in Manchester, UK.

The three-day event brought together leading researchers from biological and materials chemistry to discuss topics of common interest across the pectrum of electronic structure, atomistic and mesoscopic scales and to address the current and future challenges posed by multiscale modelling.



EMMC was represented by 

Alexandra Simperler (Goldbeck Consulting) – “European Materials Modelling Ontology (EMMO)”