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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

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Yajie Cao

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Aug 2026

Predictive Design of Single-Atom Catalysts for Ethane Dehydrogenation: A DFT-ML-Experimental Approach to Optimize Metal Identity and Its Coordination Environment

The rational design of high-performance single-atom catalysts (SACs) requires precise optimizing of both the metal identity and its local coordination environments. In this study, a combined DFT, machine learning (ML), and experiment approach is employed to systematically screen ethane direct dehydrogenation (EDH) pe...

Yajie Cao, Zhongkui Zhao, Shaojia Song et al. · 0 citations

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