Session 5

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


The Software Focus Area aims at motivating, facilitating, and promoting the transfer of software for computational materials science into ready-to-use tools for industry and provides a forum for both software developers and users.

The session’s focus is on success stories (from academic and industrial R&D) that demonstrate the added value of Materials Modelling to industry and society (The Value of Materials Modelling), and on key factors and business models to foster industrialization and societal/environmental impact.

The speakers of this session will contribute to one or both topics from their background and expertise to give an overview of current developments as well as future perspectives.

All session speakers and attendees are invited to share their evolving requirements for materials modelling software. The EMMC2023 conference session aims to provide a collaboration space for R&D actors and users to engage in advancing materials modelling and application, exchanging best practices and sustainability strategies.

Session 5 is related to EMMC Focus Area "Software"
Day 2 - Tuesday, Apr 27, 2023
15:00 - 16:45
Room Böcklsaal

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)

Impulse presentation #3
by Bijan Yadollahi  (CMCL Innovations, UK)

Software Business Models
by Ilian Todorov (UKRI - STFC, UK) and Stijn Donders (Siemens Digital Industries Software, BE)

Chair: Ilian Todorov (UKRI - STFC, UK)

European Materials Modelling Council
Silversquare Stéphanie
Avenue Louise 54
1050 Brussels
CBE no: 0731 621 312