The conference contributions cover a broad range of topics in data-driven and computational materials science:
Jörg Neugebauer and Tilmann Hickel will lead the Workshop and Tutorial TUT6 on Sunday, 08 March 2026, from 4 pm to 06:15 pm CET in TRE/MATH: “Linking large language models with digital workflows for materials science simulations.” The tutorial provides hands-on access to pyiron workflows in the browser and demonstrates how large language models can support “human-in-the-loop” workflow steps.
Tilmann Hickel will give the Invited Talk MM5.5 on Monday, 09 March 2026, at 11:45 am in SCH/A251: “Leveraging data science technologies to enable AI-driven materials design.” The talk explains how pyiron workflows and semantic technologies support interoperable, reproducible data pipelines for AI-assisted alloy design.
Sarath Menon will present a Topical Talk on “Towards automated calculation of phase diagrams with machine learning interatomic potentials” (Monday 09 March 2026, 12:30 pm, SCH/A251). The talk introduces workflow concepts that combine machine-learning interatomic potentials and thermodynamic integration to streamline multicomponent phase-diagram calculations.
Mariano Forti will present Talk MM11.4 on Tuesday, 10 March 2026, at 11:00 am in SCH/A215: “Effect of partial occupancy on the properties of FeCr σ-phase.” The talk discusses how combining DFT and machine-learning potentials can quantify how partial occupancy affects σ-phase stability and mechanical properties.
Ruth Schwaiger will give a Topical Talk on “High-Throughput Nanomechanics and Data-Driven Workflows for Mapping Composition-Microstructure-Property Landscapes” (Thursday 12 March 2026, 10:15 am, MM32.1). The talk shows how automated nanoindentation and machine-learning analysis can map composition–microstructure–property trends across combinatorial libraries.
Jan Janssen will give the Invited Talk SYAI1.3 on Thursday, 12 March 2026, from 10:30 am to 11:00 am in HSZ/AUDI: “Autonomous, Data-Driven Workflows for Materials Acceleration Platforms with pyiron.” The talk presents automated workflows that connect data generation, analysis, and materials acceleration platforms in a reproducible framework.
Taken together, these contributions show how shared workflow environments and robust data practices help make advanced methods more transferable, easier to validate, and more accessible for materials scientists working across experiment, simulation, and informatics.
You can find the full scientific program of the DPG Spring Meeting SKM 2026, including all sessions and schedules on the website.