Phys. Chem. Chem. Phys.
 2024
DOI: 10.1039/d4cp02488e
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Inverse design of ZIFs through artificial intelligence methods

Panagiotis Krokidas,
Michael Kainourgiakis,
Theodore Steriotis
et al.

Abstract: We report a tool combining a biologically inspired evolutionary algorithm with machine learning to design fine-tuned Zeolitic-Imidazolate Frameworks (ZIFs), a sub-family of MOFs, for desired sets of diffusivities of species...

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