Topic: MatExpert: Decomposing Materials Discovery by Mimicking Human Experts
For accelerated inorganic materials design, a framework capable of AI-driven exploration of the vast materials spaces across the periodic table is required. In this talk, I will introduce MatAgent, a generative AI agent for inorganic materials design mimicking the reasoning process of human experts. It combines tool-assisted LLM-driven reasoning for material composition proposals with a generative model for crystal structure estimation and a predictive model for material property prediction, enabling feedback-driven targeted materials generation in an interpretable manner.
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