Editor-in-Chief: Hao Li

AI Agent

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Battery material databases in the age of AI agents

Open Access Commentary DOI: 10.20517/aiagent.2026.29 30 Jul 2026
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Decoding MOF structures from powder diffraction with generative AI

Open Access Research Highlight DOI: 10.20517/aiagent.2026.25 26 Jul 2026
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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 20 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 13 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 2 Jun 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 29 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 4 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 30 Dec 2025
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