Rapid Discovery of Gas Response in Materials Via Density Functional Theory and Machine Learning-Energy & Environmental Materials2025年01期-手机知网

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Rapid Discovery of Gas Response in Materials Via Density Functional Theory and Machine Learning

School of Materials Science and Physics, China University of Mining and Technology;State-Key Laboratory of Analog and Mixed-Signal VLSI, IME, University of Macau | Shasha Gao Yongchao Cheng Lu Chen Sheng Huang

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In this study,a framework for predicting the gas-sensitive properties of gas-sensitive materials by combining machine learnin...

机　构:

School of Materials Science and Physics, China University of Mining and Technology；State-Key Laboratory of Analog and Mixed-Signal VLSI, IME, University of Macau；

领　域:

化学；材料科学；自动化技术；

关键词:

density functional theory；gas-sensitive materials；machine learning；

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Energy & Environmental Materials

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