The Materials Science Working Group investigates how AI can accelerate the discovery, design and optimisation of advanced materials that support Europe’s scientific and industrial ambitions.
The group addresses applications ranging from batteries and semiconductors to catalysts, polymers and sustainable materials. By integrating computational modelling, experimental data and high-throughput experimentation, it promotes AI methods that shorten discovery cycles, improve predictive capabilities and strengthen collaboration between research infrastructures and industry.
Supporting inverse design, property prediction and optimisation.
Connecting computational models with laboratory observations.
Exploring robotics and high-throughput experimentation.
Strengthening collaboration across European materials science facilities.
RAISE FORUM enables structured discussion, consultation, and feedback within the Working Group.
It supports the exchange of perspectives on priorities, challenges, and opportunities in AI for science.
Selected experts contributing to the AI in Science Working Groups
Each Working Group brings together a selected group of experts contributing to the co-creation of the AI in Science Strategic Research and Innovation Agenda (SRIA). Members were appointed through an open call for expression of interest based on their expertise, experience, and ability to contribute to interdisciplinary collaboration across AI and scientific research domains.
Working Group Co-Chair
Constructor University
Germany
DIPC, Multiverse Computing
Spain
ICREA and ICN2
Spain
Delft University of Technology
Netherlands
University of Cambridge
United Kingdom
Fritz Haber Institute of the Max Planck Society
Germany
Max Planck Institute for Polymer Research
Germany
Malmö University
Sweden
Technical University of Denmark
Denmark
University of Edinburgh
United Kingdom
Federal Institute for Materials Research and Testing (BAM)
Germany
Forschungszentrum Juelich GmbH, Institute of Energy Materials and Devices (IMD), Materials Synthesis and processing (IMD-2)
Germany
UCLouvain
Belgium
University of Amsterdam
Netherlands
IMDEA Materials Institute
Spain
EPFL
Switzerland
TU Dresden
Germany