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MM: Fachverband Metall- und Materialphysik

MM 1: Hands on tutorial: Linking Large Language Models with Digital Workflows for Materials Science Simulations (joint session MM/TUT)

Sunday, March 8, 2026, 16:00–18:15, TRE/MATH

Advanced computational simulations often require chaining several models and software packages together, a process that demands careful workflow management. In this tutorial you can gain hands-on experience with the Python based workflow environment pyiron (www.pyiron.org). Participants in the tutorial will be able to run all the examples shown in the presentation interactively on their own laptops. There is no need to install any code, just a standard web browser to explore the applications interactively.

	16:00	MM 1.1	Tutorial: Hands on tutorial: Linking large language models with digital workflows for materials science simulations — •Jörg Neugebauer, Tilmann Hickel, and Ralf Drautz