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Updated: Jan 20, 2026

Constructing and Visualizing Models using Mime-based Machine-learning Framework
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基于分子建模的机器学习,用于准确预测金属有机框架中的气体扩散率和透率

Pelin Sezgin1, Feride Neva Yüngül1, Beste Naz Karaca1

  • 1Department of Chemical and Biological Engineering, Koç University, Rumelifeneri Yolu, Sariyer, 34450 Istanbul, Turkey.

ACS materials Au
|January 19, 2026
PubMed
概括

我们使用分子动力学 (MD) 和机器学习 (ML) 开发了一个计算框架,用于预测金属有机框架 (MOF) 中的气体扩散. 该工具可以快速识别用于关键工业气体分离的高性能MOF膜.

关键词:
扩散扩散是一种扩散.气体分离器的气体分离器机器学习是机器学习.金属-有机的框架.分子模拟分子模拟

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