4th EMMC International Workshop 2023

#EMMC2023
Materials & Digitalisation: the backbone of the Green Transition

Materials, Digitalisation and the Green Transition form a closely connected triangle.

Materials are at the core of industrial processes, products and their functions and properties. The Green Transition, including advances in sustainability and safety crucially depends on materials innovation, which itself relies on digital technologies from modelling to data and knowledge representations.

Digitalisation advances materials innovation and the green transition, for example by providing the ability to carry out monitoring and tracking, simulation and forecasting, visualisation, systems and knowledge management and by enabling new levels of interactions [1].

The EMMC 2023 International Workshop will discuss the triangle Materials – Digitalisation – Green Transition from different perspectives, including

Model development

Data and knowledge representations
Software tools
Industrial transformation
Policy frame

The EMMC International Workshop has become known as a leading cross-cutting event where stakeholders from different materials & digital fields in industry and academia get together to discuss topics of strategic importance and elaborate on gaps and potential actions to move the field forward. Previous EMMC International Workshops had more than a third of participants coming from industry, benefitting from the opportunity to get a high level overview of key trends and opportunities in materials and digitalisation.

Following events in 2017, 2019 (in Vienna) and 2021 (online), the 4th EMMC International Workshop returns as a physical event in Vienna in 2023 in its successful format combining high level plenaries with discussion sessions led by Impulse Talks. EMMC 2023 supports the importance of networking in physical events, EMMC 2023 by including 30 minute breaks between sessions as well as a poster session, a European Projects market, a joint ‘science walk’ through the centre of Vienna and an opportunity to socialise at Heurigen.

Session outcomes will provide input to future versions of the EMMC Roadmap as well as the AMI2030 initiative.

Whether you are a Modeller, Materials Data Scientist, Software Owner, Translator, Industrial R&D Manager or a Circular Economy expert, the EMMC 2023 International Workshop provides the opportunity to connect with colleagues, hear about latest developments in materials & digitalisation, get your voice heard and inform future research policy.

[1] European Commission, Joint Research Centre, Muench, S., Stoermer, E., Jensen, K., et al., Towards a green & digital future : key requirements for successful twin transitions in the European Union, Publications Office of the European Union, 2022, https://data.europa.eu/doi/10.2760/977331

Venue

Plenary Talks

Luis de Prada (EUCAR, Belgium)

Innovation in the Green & Digital transformation

Hermann Autenrieth (Robert Bosch GmbH, Germany)

Digital Twin in Metal Materials Manufacturing

Aron Walsh (Imperial College, United Kingdom)

Computer-Accelerated Materials Design

Gareth Conduit (Intellegens, United Kingdom)

Green materials in less time: accelerated discovery with machine learning

Alejandro Strachan (Purdue University, Network for Computational Nanotechnology, USA)

nanoHUB services for FAIR simulations and data: ResultsDB and Sim2Ls

Esther Hurtós (Eurecat, Spain)

EU Policy landscape in Materials & Digitalisation

Program

Day 1 - April 26, 2023

Day 2 - April 27, 2023

Day 3 - April 28, 2023

Day 1 - Wednesday, April 26, 2023

11:00 - 12:45

Registration (11:00 - 12:45) & Lunch (11:30 - 12:45)

CEST

Festsaal

13:00 - 13:15

Welcome by EMMC

13:15 - 14:00

Plenary 1 (Impact in Ecosystems)

Innovation in the Green & Digital transformation
by Luis de Prada (EUCAR, BE)

Chair: Daniel Höche (Helmholtz-Zentrum hereon, DE)

14:00 - 14:45

Plenary 2 (Digitalisation & Interoperability)

Digital Twin in Metal Materials Manufacturing
by Hermann Autenrieth (Robert Bosch GmbH, DE)

Chair: Dirk Helm (Fraunhofer IWM, DE)

14:45 - 15:15

Coffee Break

15:15 - 17:00

Impulse presentations each 15 min.

Festsaal

Session 1 Impact in Ecosystems

Innovation facilitation in Ecosystems supporting the twin green & digital transition

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

Characterisation as accelerator of advanced modelling
by Nello Li Pira (CRF, Italy)

How Digitalization enables sustainable business models for materials characterization and modeling services
by Franz Pirker (AC2T research GmbH, AT)

Meeting safe and sustainable by design materials and tools
by Amaya Igartua (TEKNIKER, EUMAT, ES)

Böcklsaal

Exhibition:

European Projects

Software Vendors

Posters

17:00 - 17:30

Coffee Break

17:30 - 18:30

Festsaal

Scientific Poster Presentations

Moderation: Malgorzata Celuch (QWED, PL)

Extraction of Mechanical Parameters via MD Simulation: Application to Polyimides

by Philipp Rosenauer (University of Technology Graz, AT)

Reduced modelling, data training and real-time prediction tools for material processes
by Amir Horr (AIT - Leichtmetallkompetenzzentrum Ranshofen GmbH, AT)

Phase behaviour of coarse-grained liquids with soft attractive-repulsive potentials
by Michael Seaton (UKRI STFC Daresbury Laboratory, UK)

Accelerated screening of oxide semiconductors by combinatorial spray deposition and highthroughput analysis
by Theodoros Dimopoulos (AIT Austrian Institute of Technology, AT)

The MCL-MAP: A platform for accelerated materials design based on active learning

by Juergen Spitaler (Materials Center Leoben Forschung GmbH, AT)

Data-driven materials modelling – is domain-knowledge needed?"

by Kersti Hermansson (Upsalla University, SE)

Towards materials data sharing across value chain: an interoperable, trust & sovereign approach

by Izaskun Fernandez (Tekniker, ES)

XAIR research data and epistemic metadata for molecular methods

by Martin Thomas Horsch (Norwegian University of Life Sciences, NO)

FAIR Data driven by the Platform MaterialDigital: Exploration of the Data Acquisition Pipeline and Downstream Usage Platform - MaterialDigital Consortium

by Jörg Schaarschmidt (Karlsruhe Institute of Technology, DE)

Ontology-driven semantic interoperability in practice

by Francesca Lønstad Bleken (SINTEF, NO)

Aspects of data interoperability via ontologies in DOME 4.0 and OntoCommons projects

by Silvia Chiacchiera (UKRI STFC Daresbury Laboratory, UK)

OCES: Material Science Domain and Bridge concepts as alignment tools

by Ilaria Maria Paponetti (Alma Mater studiorum - University of Bologna, IT)

EMMO’s Theoretical Foundations

by Francesco Antonio Zaccarini (Alma Mater studiorum - University of Bologna, IT)

An intuitive and expandable dataspace management system (DSMS) for materials science and manufacturing processes
by Yoav Nahshon (Fraunhofer IWM, DE)

Böcklsaal

EU Projects Exhibition

Posters

18:30 - 21:00

Networking Event (Fingerfood)

Plenary Room

16:00 - 16:30

Day 1 - Session Summaries and open Discussion

Individual External Rooms

16:30 - 17:30

Open Contributions and Virtual Stands

Day 2 - Thursday, April 27, 2023

CEST

Festsaal

08:55 - 09:00

Welcome by EMMC

09:00 - 09:15

Welcome by TU Wien

09:00 - 09:45

Plenary 3 (Modelling)

Computer-Accelerated Materials Design
by Aron Walsh (Imperial College, UK)

Chair: Maria Alfredsson (University of Kent, UK)

09:45 - 10:30

Plenary 4 (Software)

Green materials in less time: accelerated discovery with machine learning
by Gareth Conduit (Intellegens, UK)

Chair: Ilian Todorov (UKRI - STFC, UK)

10:30 - 11:00

Coffee Break

11:00 - 12:45

Impulse presentations each 15 min.

Festsaal

Session 2 (Modelling)

Prediction or interpretation or speed-up or ... – what makes materials modelling valuable?

Chair: Kersti Hermansson (Uppsala University, SE)

Computational Chemistry: An Industrial Perspective
by Misbah Sarwar (Johnson Matthey, UK)

Measure what’s easy to measure, calculate what’s easy to calculate, use AI to fill in gaps
by Felix Hanke (Biovia R&D, Dassault Systems UK Limited , UK)

Digitalization of materials processing: the case of battery manufacturing
by Alejandro Franco (Université de Picardie Jules Verne, FR)

Böcklsaal

Session 3 (Digitalisation & Interoperability)

Materials Data Spaces, technologies and implementations

Chair: Anne de Baas (Consultant, BE)

A technology stack for semantic interoperability
by Francesca Lønstad Bleken (SINTEF, NO)

FAIR digital objects as a building block for digitalization technology stacks
by Raul Palma (Poznan Supercomputing and Networking Center, PL)

The Platform MaterialDigital (PMD) and the goal of a Materials Data Space
by Tilmann Hickel (BAM, DE)

Status of the EMMO development and its achievements
by Emanuele Ghedini (University of Bologna, IT)

12:45 - 13:45

Lunch

14:00 - 15:00

Science Walk

(Karlsplatz - Musikverein Wien - Hotel Imperial - Ring - Oper - Albertina - Burggarten - Oper - Karlsplatz)

Download EMMC 2023 Science Walk

15:15 - 17:00

Impulse presentations each 15 min.

Festsaal

Session 4 (Modelling and Characterisation)

Characterisation as accelerator on advanced physics-based modelling; from product development to Use-Cases

Chair: Costas Charitidis (NTUA/RNanoLab, GR)

Overview of the characterisation platform and challenges regarding the acceleration of characterisation data treatments
by Jessica Thery (CEA, FR)

Interoperable Characterization Data for Battery Models and Gigafactories
by Ferry Kienberger (Keysight Technologies, AT)

Advanced Nanomechanical Testing for Accelerated Material Development
by Verena Maier-Kiener (Montanuniversität Leoben, AT)

Presentation by new Horizon Europe projects on “Advanced materials modelling and characterisation”
D-STANDART (Vis Dhanisetty, NLR, NL)
MatCHMaker (Ludovic Jason, CEA, FR)
CoBRAIN (Markus Apel, Access Technology GmbH, DE)
KNOWSKITE-X (Elise Berrier, UCCS University of Lille, FR)
AddMorePower (Olivia Pfeiler, KAI GmbH, AT)

Roundtable discussion on "Challenges and Opportunities in materials modelling and demonstrators’ testing/validation; how close we are to industrial needs and sustainable exploitation of modelling/characterization outcomes."
D-STANDART (Vis Dhanisetty, NLR, NL)
MatCHMaker (Ludovic Jason, CEA, FR)
CoBRAIN (Markus Apel, Access Technology GmbH, DE)
KNOWSKITE-X (Elise Berrier, UCCS University of Lille, FR)
AddMorePower (Olivia Pfeiler, KAI GmbH, AT)

Moderation:
Franz Pirker (AC2T, i-Tribomat, AT)

Böcklsaal

Session 5 (Software)

Software as part of the Knowledge Value Chain: From Thermodynamics EoS to AI driven ChemInformatics

Chair: Ilian Todorov (UKRI - STFC, UK)

Quantifying the performance of machine learning models in materials discovery
by Marco Musto (Citrine Informatics, US)

The path from academic research to valued software for industrial use
by Anders Engstroem (ThermoCalc, SE)

Building the world ground up: a software journey
by Bijan Yadollahi (CMCL Innovations, UK)

Software Business Models
by Ilian Todorov (UKRI - STFC, UK)

17:00 - 17:15

Coffee Break

Festsaal

17:15 - 18:00

Exhibitors short presentations

Virtual Lab Inc.
presented by Gabriele Mogni (KR/BE)

JSOL Corporation
presented by Hiroya Nitta (JP)

QWED Sp. z o.o.
presented by Malgorzata Celuch (PL)

Moderation: Gerhard Goldbeck (EMMC, BE)

19:00 - 21:30

Joint Dinner at Heuriger
(18:15 Transfer)

Weinhof Zimmermann
Mitterwurzergasse 20, 1190 Vienna
https://www.weinhof-zimmermann.at/