3rd EMMC International Workshop | Programm 

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
Melanie Herman (Airbus, France)
Challenges for Airbus in the domain of the digitalisation of materials
Søren Bøwadt (European Commission DG Research & Innovation, Belgium)
Materials modelling and digitalisation - a key enabler for industrial innovation in Horizon Europe
Day 1 - Mar 02,2021
Day 2 - Mar 03,2021
Day 3 - Mar 03,2021

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)

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 and atomistic modelling:
Why should industry care?

Chair:
Maria Alfredsson (University of Kent, UK)

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

by Ludovic Briquet (Johnson Matthey, UK) tbc

Impulse presentation #2
by NN (Organisation, Country)

Impulse presentation #3
by NN (Organisation, Country)

Room Two
Session 2 (Interoperability)
Ontologies for interoperability

Chair:
Georg J. Schmitz (ACCESS e.V., DE)

Impulse presentation #1
by NN (Organisation, Country)

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

Overview for existing production ontologies
by Stefano Borgo (ISTC CNR, Laboratory for Applied Ontology, IT) tbc

Impulse presentation #4
by NN (Organisation, Country)

13:15 - 14:15

Lunch Break

14:15 - 15:45

Impulse presentations each 15 min.
Room One
Session 3 (Modelling advances)
Bridging the gaps between computer modelling and experimental characterisation for energy materials

Chair:
Małgorzata Celuch (QWED Sp. z o.o., PL)

Development of electromagnetic models of graphene anode interactions with material test-fixtures
by Marzena Olszewska-Placha (QWED Sp. z o.o., PL) tbc

Development of Li-ion battery models from electro-impedance spectroscopy data
by Ferry Kienberger (Keysight Research Labs, AT) tbc

Application of modelling tools for the electrical characterisation of organic semiconductors
by Olivier Douheret (MateriaNova, BE) tbc

Joint application of EM FEM and data-based modelling for detection of small defect structures in batteries
by Georg Gramse (Johannes Kepler University, AT) tbc

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) tbc

Tool suites for working with ontologies
by Jean-Baptiste Lamy (LIMICS Sorbonne, FR) tbc

Impulse presentation #4
by NN (Organisation, Country)

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 NN (Organisation, Country)

Impulse presentation #2
by NN (Organisation, Country)

Impulse presentation #3
by NN (Organisation, Country)

Impulse presentation #4
by NN (Organisation, Country)

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

Chair:
Volker Eyert
(Materials Design S.A.R.L., FR)

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

Impulse presentation #2
by Sophie Loehle (TOTAL, FR) tbc

Impulse presentation #3
by NN (Organisation, Country)

Impulse presentation #4
by NN (Organisation, Country)

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
(High Performance Computing Center Stuttgart, DE)

Impulse presentation #1
by NN (Organisation, Country)

Impulse presentation #2
by NN (Organisation, Country)

Impulse presentation #3
by NN (Organisation, Country)

Impulse presentation #4
by NN (Organisation, Country)

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

Chair:
Ilian Todorov
(UKRI - STFC, UK)

Impulse presentation #1
by Flavio Souza (Siemens Digital Industries Software, US) tbc

Impulse presentation #2
by Ellad Tadmor (University of Minnesota, US) tbc

Impulse presentation #3
by Scott Woodley (UCL, UK) tbc

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 5 (Industrial Impact)

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

10:40 - 11:15
Plenary Talk 6 (Policy)

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

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 NN (Organisation, Country)

Impulse presentation #2
by NN (Organisation, Country)

Impulse presentation #3
by NN (Organisation, Country)

Impulse presentation #4
by NN (Organisation, Country)

Room Two
Session 10 (Policy)
EMMC Roadmap Strategy

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

Impulse presentation #1
by NN (Organisation, Country)

Impulse presentation #2
by NN (Organisation, Country)

Impulse presentation #3
by NN (Organisation, Country)

Impulse presentation #4
by NN (Organisation, Country)

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)

Impulse presentation #1
by NN (Organisation, Country)

Impulse presentation #2
by NN (Organisation, Country)

Impulse presentation #3
by NN (Organisation, Country)

Impulse presentation #4
by NN (Organisation, Country)

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

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

Impulse presentation #1
by NN (Organisation, Country)

Impulse presentation #2
by NN (Organisation, Country)

Impulse presentation #3
by NN (Organisation, Country)

Impulse presentation #4
by NN (Organisation, Country)

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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