3rd EMMC International Workshop | Program 

Plenary Talks

Sir C. Richard A. Catlow (University College London and Cardiff University, United Kingdom)
Interatomic Potentials - Why we still need them and how can we improve them
Emanuele Ghedini (University of Bologna, Italy)
From ontology to practical applications
Bryce Meredig (Citrine Informatics, USA)
Digitalisation of materials innovation
Nicola Marzari (EPFL, Switzerland)
The digital infrastructures for 21st-century science
Anne de Baas (Belgium)
Ontology for business opportunities for simulation and comparison of methods
Søren Bøwadt (European Commission DG Research & Innovation, EC)
Materials modelling and digitalisation - a key enabler for industrial innovation in Horizon Europe
Melanie Herman (Airbus, France)
Challenges for Airbus in the domain of the digitalization of Composite materials
Day 1 - Mar 02, 2021
Day 2 - Mar 03, 2021
Day 3 - Mar 04, 2021

Day 1 - Tuesday, Mar 02, 2021

CET
Plenary Room
10:00 - 10:15
Welcome and presentation of the European Materials Modelling Council by Nadja Adamovic (EMMC President)
10:15 - 10:50
Plenary 1 (Modelling Advances) 

Interatomic Potentials - Why we still need them and how can we improve them 
by Sir C. Richard A. Catlow (University College London and Cardiff University, United Kingdom)

 

Chair: Kersti Hermansson (Uppsala University, Sweden)

10:50 - 11:25
Plenary 2 (Interoperability)

From ontology to practical applications
by Emanuele Ghedini (University of Bologna, Italy)

 

Chair: Georg J. Schmitz (ACCESS, DE)

11:25 - 11:45

Break

11:45 - 13:15

Impulse presentations each 15 min.
Room One
Session 1 (Modelling advances)
Electronic, Atomistic and Multiscale Modelling: Why should Industry care?

Modelling gaps (and benefits) at the
electronic and atomistic levels in industry

by Ludovic Briquet (Johnson Matthey, UK)

From DFT to precipitation and strengthening in Aluminum Alloys
by William Curtin (EPFL, CH)

Accelerated materials design for carbon capture using atomistic and data
driven modelling integrated with industrial scale process simulations

by Tom Woo (University of Ottawa, CA)

Room Two
Session 2 (Interoperability)
Ontologies for Interoperability

Ontologies and Chemistry
Colin Batchelor (Royal Society of Chemistry, UK)

Ontologies in Computational Materials Science: The NOMAD experience
by Luca M. Ghiringhelli (NOMAD, Fritz-Haber-Institute, DE)

Applied ontology and its use in product and production modeling
by Stefano Borgo (ISTC CNR, Laboratory for Applied Ontology, IT)

13:15 - 14:15

Lunch Break

14:15 - 15:45

Impulse presentations each 15 min.
Room One
Session 3 (Modelling advances)
From Modelling to Experimental Characterisation for Energy Materials

Development of Li-ion Battery Models from Electro-impedance Spectroscopy Data
by Ferry Kienberger (Keysight Research Labs, AT)

Application of Modelling Tools for the Electrical Characterisation of Organic Semiconductors
by Olivier Douheret (MateriaNova, BE)

Joint application of EM FEM and Data-based Modelling for Detection of Small Defect Structures in Batteries
by Georg Gramse (Johannes Kepler University, AT)

Modelling of energy materials  and electrical test-fixtures: developments and Open Platform implementation linking MODAs and CHADAs
by Marzena Olszewska-Placha (QWED, PL)

Room Two
Session 4 (Interoperability)
Interoperability in Practice

Working toward Interoperability: Nanomine to Metamine and ontologies
by L. Cate Brinson (Duke University, US)

Towards ontologies for databases interoperability
by Gian-Marco Rignanese (Université Catholique de Louvain, BE)

Tool Suites for Working with Ontologies
by Jean-Baptiste Lamy (LIMICS, Université Sorbonne Paris Nord, FR)

A data-model driven approach for semantic interoperability in scientific software
by Thomas Hagelien (SINTEF, NO)

15:45 - 16:00

Break

Plenary Room
16:00 - 16:30

Day 1 - Session Summaries and open Discussion

Individual External Rooms

Day 2 - Wednesday, Mar 03, 2021

CET
Plenary Room
10:00 - 10:05
Welcome by Nadja Adamovic (EMMC President)
10:05 - 10:40
Plenary 3 (Software Deployment)

The digital infrastructures for 21st-century science
by Nicola Marzari (EPFL, Switzerland)

 

Chair: Volker Eyert (Materials Design, France)

10:40 - 10:50

Break

10:50 - 12:20

Impulse presentations each 15 min.
Room One
Session 5 (Digitalisation)
Digital Marketplaces

Establishing materials modelling marketplaces: from interoperability to cooperation
by Martin T. Horsch (HLRS, DE)

Material Data Digitalisation Challenges in an Engineering Commercial Environment
by Marco Musto (Matmatch, DE)

From Design to Manufacturing - the Materials Zone platform
by Assaf Anderson (MaterialsZone, IL)

DOME 4.0 - Enabling interoperability and collaboration in a digital marketplace ecosystem
by Amit Bhave (CMCL Innovations, UK)

Room Two
Session 6 (Software)
Industrial Requirements to Materials Modelling Software

Business opportunities for materials science software
by Kurt Stokbro (Stokbro Invest, DK)

Speed-up lubricant formulation with computational chemistry tools
by Sophie Loehle (TOTAL, FR)

Advancing automotive innovation with materials modeling
by Jonathan Mueller (Volkswagen, DE)

Software
12:30 - 13:30

Lunch Break

Plenary Room
13:30 - 14:05
14:10 - 15:40

Impulse presentations each 15 min.
Room One
Session 7 (Digitalisation)
Digitalisation of research data

FAIR policies and practices in EOSC
by Brian Matthews (UKRI STFC Rutherford Appelton Laboratory, UK)

EnzymeML: FAIR data management in biocatalysis
by Jürgen Pleiss (University of Stuttgart, DE)

Interconnecting data repositories: The Platform Material Digital (BMBF)
by Birgit Skrotzki, (BAM Materials Engineering, DE)

Building federated FAIR Data Spaces
by Yann Le Franc (eScience Data Factory, FR)

Room Two
Session 8 (Software)
From Materials Science Software to Industrial Tools

Development and Evolution of Materials Modelling Software
by Scott Woodley (UCL, UK)

Addressing Industrial Needs for Atomistic Simulations through OpenKIM
by Ellad Tadmor (University of Minnesota, US)

Building a Materials Engineering Software Product: From Academic Research to Commercialization
by Flavio Souza (Siemens Digital Industries Software, US)

Software
15:40 - 16:00

Break

Plenary Room
16:00 - 16:30

Day 2 - Session Summaries and open Discussion

Individual External Rooms

Day 3 - Thursday, Mar 04, 2021

CET
Plenary Room
09:20 - 09:30
Welcome by Nadja Adamovic (EMMC President)
09:30 - 10:05
Plenary 5 (Industrial Impact)

Ontology for business opportunities for simulation and comparison of methods
by Anne de Baas (Belgium)

 

Chair: Denka Hristova-Bogaerd (Dutch Polymer Institute, NL)

10:05 - 10:40
Plenary 6 (Policy)

Materials modelling and digitalisation - a key enabler for industrial innovation in Horizon Europe
by Søren Bøwadt (European Commission DG Research & Innovation, EC)

 

Chair: Nadja Adamovic (EMMC ASBL President / TU Wien, Austria)

10:40 - 11:15
Plenary 7 (Industrial Impact)

Challenges for Airbus in the domain of the digitalization of Composite materials 
by Melanie Herman (Airbus, France)

 

Chair: Patrick de Luca (ESI Group, France)

11:15 - 11:30

Break

11:30 - 13:00

Impulse presentations each 15 min.
Room One
Session 9 (Industrial Impact)
New developments/views on Translation and Training for companies

Chair:
Natalia Konchakova
(Helmholtz-Zentrum Geesthacht, DE)

Scenarios for Industrial Decision Making
by Rudolf Koopmans (Koopmans Consulting, CH)

Ecosystem of a Software Owner towards Translation in Materials Engineering
by Stijn Donders (Siemens Digital Industries Software, BE)

A business model for Translation based on open source software
by Henrik Rusche (WIKKI, DE)

Tools for the merge of business economics, translation and decision systems for simulation
by Anne de Baas (BE)

Room Two
Session 10 (Policy)
EMMC Roadmap Strategy

Chair:
Nadja Adamovic
(EMMC ASBL President / TU Wien, AT)

Implementation strategy of the EMMC Roadmap
by Erich Wimmer (EMMC ASBL BoD Member / Materials Design, FR)

Demonstrating Impact
by Donna Dykeman (Ansys, UK)

Materials Modelling and Digitalisation: a core technology in a post-COVID world
by Gerhard Goldbeck (EMMC Executive Secretary / Goldbeck Consulting, UK)

13:00 - 14:00

Lunchbreak

14:00 - 15:30

Impulse presentations each 15 min.
Room One
Session 11 (Industrial Impact)
Industrial needs on modelling tools for generating impact in industry and future game changers

A View from Academia: the Longest-term Perspective?
by Peter Haynes (Imperial College London, UK)

Next Generation computing at BASF
by Brian Chol Soo Standen (BASF Corporation, US)

The future, designed by materials modeling - A specialty chemicals perspective
by Thomas Asche (Evonik Operations, DE)

Room Two
Session 12 (Policy)
The EMMC Roadmap in the R&I landscape

Chair:
Gerhard Goldbeck
(EMMC Executive Secretary / Goldbeck Consulting, UK)

Benchmark of R&I programmes with the EMMC roadmap priorities
by Esther Hurtós (EURECAT, ES)

Towards pairing up materials modelling and characterisation
by Javier Sanfélix  & Yanaris Ortega Garcia (DG RTD, EC)

Advanced Materials research and development in the European Defence Fund
by Erno Vandeweert (DG Defence Industry and Space, EC)

Digital Europe: Path towards Exascale and Quantum Computing. Opportunities for materials modelling and digital transformation
by Matteo Mascagni (DG Communications Networks, Content and Technology, EC)

Challenges in the Supply Chains for the Green Transition
by Alessandro Cavalli (JOINT RESEARCH CENTRE, Directorate C: Energy, Transport & Climate, EC)

15:30 - 15:45

Break

Plenary Room
15:45 - 16:15

Day 3 - Session Summaries and open Discussion

16:15 - 16:30

Conclusion and Goodbye by Nadja Adamovic (EMMC President)

EMMC ASBL
European Materials Modelling Council
Silversquare Stéphanie
Avenue Louise 54
1050 Brussels
CBE no: 0731 621 312
contact@emmc.eu
chevron-down