Editor-in-Chief: Hao Li

AI Agent

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AI as a catalyst for transforming scientific research: a perspective

Open Access Perspective DOI: 10.20517/aiagent.2025.08 18 Dec 2025
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From large language models to AI agents in energy materials research: enabling discovery, design, and automation

Open Access Review DOI: 10.20517/aiagent.2025.03 18 Dec 2025
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Knowledge-extractor: a self-evolving scientific framework for hydrogen energy research driven by AI agents

Open Access Original Article DOI: 10.20517/aiagent.2025.04 14 Dec 2025
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Exploring structures of nanoclusters combining high-dimensional neural network potentials with unsupervised machine learning algorithms

Open Access Original Article DOI: 10.20517/aiagent.2025.09 11 Dec 2025
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Accelerating multimetallic catalyst discovery with robotics and agentic AI

Open Access Commentary DOI: 10.20517/aiagent.2025.07 23 Nov 2025
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