Editor-in-Chief: Hao Li
Median time to first editorial decision: 4 days

AI Agent

Articles

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Generative AI for atomistic nanomaterial reconstruction: from static structures to conditioned ensembles

Open Access Perspective DOI: 10.20517/aiagent.2026.21 16 Sep 2026
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Computational materials agents: from task demonstrations to executable scientific workflows

Open Access Mini Review DOI: 10.20517/aiagent.2026.38 4 Sep 2026
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AI agents accelerate catalyst discovery for ultrafast water purification

Open Access Research Highlight DOI: 10.20517/aiagent.2026.41 28 Aug 2026
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Computational Nutrition 2.0: an algorithmic frontier for AI agents

Open Access Perspective DOI: 10.20517/aiagent.2026.32 21 Aug 2026
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AI agents for MOFs and COFs discovery

Open Access Mini Review DOI: 10.20517/aiagent.2026.33 17 Aug 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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