Editor-in-Chief: Hao Li

AI Agent

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MatterChat: how a structure-aware multimodal LLM bridges atomic structures and scientific reasoning in materials science

Open Access Research Highlight DOI: 10.20517/aiagent.2026.28 21 Jul 2026
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From execution loop to reasoning loop in autonomous materials research

Open Access Perspective DOI: 10.20517/aiagent.2026.13 14 Jul 2026
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From unstructured to structured: opportunities, risks and engineering practices for LLM-based data extraction in chemistry and materials

Open Access Perspective DOI: 10.20517/aiagent.2026.06 3 Jun 2026
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A closed-loop universal catalyst design workflow ready for AI agents

Open Access Research Highlight DOI: 10.20517/aiagent.2026.12 29 May 2026
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An energy-efficient scheduling approach for wind-solar-hydrogen systems based on distributed reinforcement learning

Open Access Original Article DOI: 10.20517/aiagent.2026.01 29 May 2026
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Cloud synthesis: a global closed-loop feedback powered by autonomous AI-driven catalyst design agent

Open Access Commentary DOI: 10.20517/aiagent.2025.02 30 Sep 2025
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From descriptors to machine learning interatomic potentials: a review of AI-accelerated electrocatalyst design

Open Access Mini Review DOI: 10.20517/aiagent.2025.05 5 Nov 2025
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AI agents for solid electrolytes: opportunities, challenges, and future directions

Open Access Review DOI: 10.20517/aiagent.2025.10 31 Dec 2025
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