Automated Machine Learning of Interfacial Interaction Descriptors and Energies in Metal-Catalyzed N2 and CO2 Reduction Reactions

The applications of machine learning (ML) in complex interfacial interactions are hindered by the time-consuming process of manual feature selection and model construction. An automated ML program was implemented with four subsequent steps: data distribution analysis, dimensionality reduction and cl...

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Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1985. - 41(2025), 5 vom: 11. Feb., Seite 3490-3502
1. Verfasser: Chen, Jiawei (VerfasserIn)
Weitere Verfasser: Gu, Yuming, Zhu, Qin, Gu, Yating, Liang, Xinyi, Ma, Jing
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2025
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article