In the tutorial titled Linking large language models with digital workflows for materials science simulations the pyiron developers presented the recent advances of the pyiron workflow framework, with a specific focous on the integration of large language models (LLM) to accelerate the workflow development.

The tutorial website summarizes the topics covered in the tutorial and the corresponding content is available in the Github repository.

In comparison to generating Python code directly with an LLM the advantage of using a workflow framework is the restriction of the flexibility of to focus on the generation of nodes and edges which reduces the risk of hallucination.