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From large language models to AI agents in energy materials research: enabling discovery, design, and automation

Figure 7. Representative workflows of AI agents in materials science. (A) The aLLoyM workflow for alloy phase prediction. Adapted from Oikawa et al.[43] (CC BY 4.0); change made: no changes made; (B) The ChatMOF architecture for agent-tool integration in MOF design. Adapted from Kang et al.[72] (CC BY 4.0); change made: no changes made. AI: Artificial intelligence; LLM: large language model; Q&A: question and answer; aLLoyM: aLLoy large language model; LIQUID: liquid phase; HCP_A3: hexagonal close-packed, strukturbericht A3; MOF: metal-organic framework; ML: material library.