MatClaw shows a code-first LLM agent autonomously generating and executing workflows for ML force field training, Curie temperature prediction, and parameter search on CuInP2S6, succeeding on code but requiring interventions for tacit domain knowledge.
Integrating machine learning and large language models to advance exploration of electrochemical reactions
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MatClaw: An Autonomous Code-First LLM Agent for End-to-End Materials Exploration
MatClaw shows a code-first LLM agent autonomously generating and executing workflows for ML force field training, Curie temperature prediction, and parameter search on CuInP2S6, succeeding on code but requiring interventions for tacit domain knowledge.