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Thin films: from growth to processing and applications

E

Data-based methods and AI for the development and processing of advanced materials

The recent introduction of powerful data-based modelling and characterization tools opened new perspectives for the development of advanced materials and improved design and production routes. This symposium will address the current transitions in academia and industry.

Scope:

The proposed symposium will be opened by a session dedicated to the most recent advances in materials discovery acceleration:

  • Multiscale modelling and simulation: DFT Predictions including Machine Learning Potential, mesoscale modeling, thermodynamical computations across complex phase spaces.
  • Materials Acceleration Platforms: high throughput synthesis, shaping and characterization of materials, autonomous AI-driven labs, experts in the loop.
  • Application of AI for Life Cycle assessment: substitution of critical materials, operando testing, recycling.

A key issue to be discussed is the crucial need of reliable, interoperable data repositories as the foundation for all these data-based methods.

The next session will additionally shed light on critical steps towards actual materials integration:

  • Processes optimization using AI: thin films and coating, advanced control of microstructure in alloys or glasses, porous inorganics and hybrids, reproducible shaping of nanomaterials.
  • Digital twins of advanced processing: sintering of ceramics and composites, 3D and 4D additive manufacturing.
  • Bio-sourcing of polymers and hybrids.

Beyond material science and technology, this session will also include success stories from other fields (biology, climate predictions…) as to stimulate materials scientists towards actual use of data science and AI.

Hot topics to be covered by the symposium:

  • Foundation models in materials science
  • Issues covered in recent papers as:
    (1) Scaling deep learning for materials discovery, Nature 624, 80 (2023)
    (2) A generative model for inorganic materials design, Nature 639, 624 (2025)

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Symposium organizers
François WILLAIMECEA

Département des Matériaux pour le Nucléaire (DMN), Gif sur Yvette, France

francois.willaime@cea.fr
Mario MAGLIONEICMCB-CNRS

Université de Bordeaux, Bordeaux INP, France

mario.maglione@icmcb.cnrs.fr
Peter GUMBSCH (Main organizer)Karlsruhe Institute of Technology / Fraunhofer Institute for Mechanics of Materials IWM

Wöhlerstr. 11, D- 79108 Freiburg, Germany

peter.gumbsch@iwm.fraunhofer.de
Tejs VEGGEDTU - Department of Energy Conversion and Storage

Fysikvej, 313, 324, 2800 Kgs. Lyngby, Denmark

teve@dtu.dk