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
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 digitalisation of materials
Day 1 - Mar 02,2021
Day 2 - Mar 03,2021
Day 3 - Mar 04,2021

Day 1 - Tuesday, Mar 02, 2021

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)

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?

Chair:
Maria Alfredsson (University of Kent, UK)

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

by Ludovic Briquet (Johnson Matthey, UK) 

Multiscale modelling from micro to macro
by William Curtin (EPFL, CH) 

Impulse presentation #3
by Tom Woo (University of Ottawa, CA)

Room Two
Session 2 (Interoperability)
Ontologies for Interoperability

Chair:
Georg J. Schmitz (ACCESS, DE)

Impulse presentation #1
by NN (Organisation, Country)

From metadata schema to ontology
by Luca M. Ghiringhelli (NOMAD, Fritz-Haber-Institute, DE)

Overview for existing production ontologies
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

Chair:
Małgorzata Celuch (QWED, PL)

Development of Electromagnetic Models of Graphene Anode Interactions with Material Test-fixtures
by Marzena Olszewska-Placha (QWED, PL)

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)

Room Two
Session 4 (Interoperability)
Interoperability in Practice

Chair:
Jesper Friis (SINTEF, NO)
Davide Di Stefano (Ansys, UK)

Impulse presentation #1
by NN (Organisation, Country)

Overview of Interfacing Ontologies to Databases in Practice
by Gian-Marco Rignanese (Université Catholique de Louvain, BE)

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

15:45 - 16:00

Break

Plenary Room
16:00 - 16:30

Day 1 - Session Summaries

Individual Rooms
16:30 - 17:30

Open Contributions and Virtual Stands Session

Day 2 - Wednesday, Mar 03, 2021

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)

10:40 - 10:50

Break

10:50 - 12:20

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

Chair:
Adham Hashibon
(Freiburg, DE)

Impulse presentation #1
by Welchy Leite Cavalcanti (Fraunhofer IFAM, DE)

Impulse presentation #2
by Assaf Anderson (MaterialsZone, IL)

A digital platform for engineering materials: technical and business-related challenges
by Marco Musto (Matmatch, DE)

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

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

Chair:
Volker Eyert
(Materials Design, FR)

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)

Impulse presentation #3
by Jonathan Mueller (Volkswagen, DE)

Software
12:30 - 13:30

Lunch Break

Plenary Room
13:30 - 14:05
Plenary Talk 4 (Digitalisation)

Digitalisation of materials innovation
by Bryce Meredig (Citrine Informatics, USA)

14:10 - 15:40

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

Chair:
Martin Thomas Horsch
(HLRS, DE)

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

Impulse presentation #2
by NN (Organisation, Country)

The MaterialDigital platform and related initiatives
by Pedro Dolabella Portella (BAM Materials Engineering, DE)

Impulse presentation #4
by Yann Le Franc (eScience Data Factory, FR)

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

Chair:
Ilian Todorov
(UKRI - STFC, UK)

Impulse presentation #1
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

Individual Rooms
16:30 - 17:30

Open Contributions and Virtual Stands Session

Day 3 - Thursday, Mar 04, 2021

Plenary Room
10:00 - 10:05
Welcome by Nadja Adamovic (EMMC President)
10:05 - 10:40
Plenary Talk 5 (Policy)

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

10:40 - 11:15
Plenary 6 (Industrial Impact)

Challenges for Airbus in the domain of the digitalization of materials
by Melanie Herman (Airbus, 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:
Denka Hristova-Bogaerd
(Dutch Polymer Institute, NL)

Impulse presentation #1
by Rudolf Koopmans (Koopmans Consulting, CH)

Impulse presentation #2
by NN (Organisation, Country)

Impulse presentation #3
by Henrik Rusche (WIKKI, DE)

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 S.A.R.L., FR)

Demonstrating Impact
by Donna Dykeman (Ansys, 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

Chair:
Peter Klein (Fraunhofer ITWM, DE)

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

Next Generation computing at BASF
by Brian Standen (BASF, 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)

Horizon Europe: The power of combining Materials Modelling and Characterisation
by Javier Sanfélix and/or Yanaris Garcia Ortega (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)

Materials for the green transition – challenges and opportunities in modelling future demands
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

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
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