Hackathon submissions indicate LLMs are moving from general assistants toward composable multi-agent systems for structuring scientific knowledge and automating tasks in materials science and chemistry.
Hoomd-blue: A python package for high-performance molecular dynamics and hard particle monte carlo simulations
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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Hackathon submissions indicate LLMs are moving from general assistants toward composable multi-agent systems for structuring scientific knowledge and automating tasks in materials science and chemistry.