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Author

N. Ran

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Sep 2026

Polyhedral-Cluster Machine Learning Potential for Efficient and Accurate Modeling of Complex Li-Ion Cathodes

Li-ion layered cathodes undergo complex structural evolution during delithiation, where local coordination changes, transition-metal migration, and oxygen-framework distortion are coupled across multiple length scales. Machine learning interatomic potentials can enable efficient atomic modeling of these processes, bu...

Nuo Fang, Wu-Jie Qiu, Shu-Yu Wu et al. · 0 citations
Review Open access Jul 2026

LLM-driven materials knowledge extraction: multimodal parsing, ontology, and agentic systems

It is argued that reliability is the decisive criterion for large-scale deployment, and synthesize failure modes, layered defenses, and evaluation protocols that connect source grounding, ontology constraints, physical verification, and human-in theloop review.

Shuai Yang, Yi-Meng Wang, Qiong Tu et al. · 0 citations
Jul 2026

Statistical AI Enables Precise Screening of Multielement Catalysts.

The statistical descriptor φ, which is defined as the proportion of high-activity configurations in a given element combination, is introduced, which can more accurately quantify macroscopic catalytic activity.

Cheng-Bo Li, Ming-Zhe Li, N. Ran et al. · 0 citations

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