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在金属有机框架中探索储能能力:贝叶斯式优化方法

Sumedh Ghude1, Chandra Chowdhury2

  • 1Department of Physics, Indian Institute of Technology Madras, Chennai, 600036, India.

Chemistry (Weinheim an der Bergstrasse, Germany)
|August 28, 2023
PubMed
概括

贝叶斯优化 (BO) 有效地选用于 (H2) 储存的金属有机框架 (MOF),以最小的计算确定顶级候选者. 这种人工智能方法显著减少了材料发现的实验力度.

关键词:
MOFs 的使用情况.贝叶斯的优化是贝叶斯的优化.进化性搜索 进化性搜索储存的储存的储存.粒子群集优化 粒子群集优化

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