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Lei Zhang

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Open access Sep 2026

Harness Engineered LLM Agents for Material Science: A Case Study on Perovskite Materials with Machine Learning and Materials Project

The integration of large-language-model (LLM) agents into materials science requires a balance between adaptive reasoning and reliable scientific execution. Here, we present a Harness framework that converts agent proposals into structured and validated actions, connects them to the Materials Project and deterministic...

Tian-Lei Wang, Lei Zhang · 0 citations

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