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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 disparity between the complex structures of synthesized materials and their simplified computational models leads to deviations between theoretically calculated and experimental performance. To narrow this gap, we introduce the statistical descriptor φ, which is defined as the proportion of high-activity configurat...

Chengbo Li, Mingzhe Li, N. Ran et al. · 0 citations

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