Jan Janssen - LangSim and agent-driven workflows

[edan-bainglass]

Slides will be made available here.

[jan-janssen]

How to use machine learning in the discovery and design of materials for the future? (Slides)
An extended version of the talk is available on Youtube.

More details about the LangSim interface for the pyiron workflow framework and the corresponding source code are also available.

I am very interested to identify applications which benefit from a large language model (LLM) interface. This can be either experimental or simulation codes. If that sounds interesting to you, feel free to reach out. Maybe we can form a working group on agent based workflows for materials science and chemistry during the MADICES workshop.

[kjappelbaum]

re simulation agents I might also have some team members that would like to contribute