Adsorption behavior of metal-organic frameworks: From single simulation, high-throughput computational screening to machine learning

Yaling Yan; Lulu Zhang; Shuhua Li; Hong Liang; Zhiwei Qiao

doi:10.1016/j.commatsci.2021.110383

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Adsorption behavior of metal-organic frameworks: From single simulation, high-throughput computational screening to machine learning

Yaling Yan Lulu Zhang Shuhua Li Hong Liang Zhiwei Qiao

Year: 2021 Journal: Computational Materials Science Vol: 193 Pages: 110383-110383 Publisher: Elsevier BV

DOI: 10.1016/j.commatsci.2021.110383

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Keywords:

Adsorption Commercialization Throughput Field (mathematics) Nanotechnology Porosity Computational simulation Materials science Computer science Porous medium Process engineering Metal-organic framework Biochemical engineering Chemistry Engineering Computational science Organic chemistry Telecommunications Composite material

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Topics

Metal-Organic Frameworks: Synthesis and Applications

Physical Sciences → Chemistry → Inorganic Chemistry

Covalent Organic Framework Applications

Physical Sciences → Materials Science → Materials Chemistry

Enhanced Oil Recovery Techniques

Physical Sciences → Engineering → Ocean Engineering

Adsorption behavior of metal-organic frameworks: From single simulation, high-throughput computational screening to machine learning

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