NFDI-MatWerk at AI MSE 2025
AI MSE 2025 brings the materials science community together to explore how artificial intelligence and data-driven methods can support experimental and computational research. NFDI-MatWerk has several contributions that illustrate the potential FAIR research data management for AI-assisted materials design and analysis.
One contribution is the plenary lecture “Leveraging data science technologies to enable AI-driven material design” by Tillmann Hickel. Scheduled for 8:30–9:10 AM on 19 November 2025 in Saal 2a, the lecture will show how data-science techniques can link simulation data, experimental results, and scientific knowledge. This structured integration is essential for enabling AI-driven exploration of materials properties and development pathways.
In addition, two talks from the NFDI-MatWerk community will address key challenges in data-driven materials research. On 18 November 2025, from 3:00–3:20 PM in Saal 4, Abril Azocar Guzman will present “Data-Driven Insights into Grain Boundary Segregation Mechanisms.” The contribution demonstrates how numerical datasets and analytical workflows help connect atomistic segregation phenomena with microstructural behavior.
On 19 November 2025, from 2:30–2:50 PM in Saal 2a, Yousef Rezek and Alexander Hartmaier will present “A Unified Data Schema of Microstructure Evolution Enabling Multi-Tool Workflows of Materials Processing Simulations.” Their work focuses on establishing a harmonized data structure that enables coupling different simulation tools and reusing data efficiently. This approach directly supports NFDI-MatWerk’s goal of creating interoperable, reproducible workflows across research groups.
NFDI-MatWerk is also represented in the poster sessions. Under the topic “Natural Language Processing and Large Language Models,” Elaheh Akhoundi will present “Toward Reliable Structured Data Extraction in Materials Science: Evaluating Large Language Models.” The contribution examines how AI can extract structured information from scientific publications, addressing a central challenge for building comprehensive research data infrastructures.
Throughout AI MSE 2025, the NFDI-MatWerk booth will serve as a point of contact for conference attendees. The team will present current activities, data concepts, and community-driven developments and will be available to discuss specific research needs. Visitors are invited to learn more about how NFDI-MatWerk supports the integration of AI into materials science and how they can engage with the initiative.