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Chen-Hui Hu

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#large language models Review Open access Sep 2026

Computational materials agents: from task demonstrations to executable scientific workflows

Computational materials modeling connects physical theory, atomistic mechanisms, and materials design, but its value depends on workflows that are specified, executed, checked, and interpreted with scientific rigor. Agents built on large language models are beginning to link materials knowledge with databases, simulati...

Chen-Hui Hu, Zhenbin Wang · 0 citations

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