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Workshop "AI in Materials Science: From Data to Discovery"

On 10–11 November 2025, the Justus Liebig University Giessen hosted the workshop "AI in Materials Science: From Data to Discovery", organized by Dr. Janis K. Eckhardt with support from the Giessen Graduate Center for Natural Sciences and Psychology (GGN), the Center for Materials Research (ZfM), and the Center for Applied Computer and Data Science (ZAD).

The two-day workshop brought together representatives from industry (BASF and Fraunhofer ISE) and universities (Marburg, Jena, KIT, and Aalto). The event was designed to offer students and early-career researchers the opportunity to learn directly from specialists, ask questions, and gain insight into current trends at the interface of artificial intelligence and materials science.

The workshop program featured a series of expert talks addressing topics such as: 

  • data infrastructure and FAIR principles

  • AI-driven materials discovery workflows

  • explainability and trust in machine-learning models

These contributions provided participants with a broad and up-to-date overview of current developments, opportunities, and challenges in the field.

A key component of the workshop was the poster session, where participants presented their research conducted at JLU. This format created an excellent opportunity for direct exchange with the invited experts. Many attendees reported that the discussions sparked new ideas and potential avenues for collaboration, underscoring the value of interactive formats for scientific networking.

Another highlight was the panel discussion, which encouraged open dialogue between the panelists and the audience. Participants actively contributed questions and perspectives, resulting in a lively and intense discussion on the future of AI-driven research and the role of interdisciplinary collaboration.

The workshop received very positive feedback from both speakers and participants. The combination of expert insights, student engagement, and open scientific exchange created an inspiring atmosphere that highlighted the importance of interdisciplinary collaboration in modern materials science. Given the success of this first edition, plans are already underway to continue the workshop series in the coming years.