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August 21, 2025Digital Discovery38 citationsOpen Access

Generative AI for design of nanoporous materials: review and future prospects

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EXEvan XieXWXijun WangJSJ. Ilja Siepmann

Key Points

  • Generative AI enhances the design of nanoporous materials by enabling rapid structure generation and screening, showing significant improvements in efficiency.
  • Key features include the ability to generate complex structures that meet desired property specifications, streamlining material discovery and testing.
  • The review analyzes practical applications and existing limitations of AI in targeted material design, revealing gaps for further research and development.
  • This work highlights the potential of generative AI to transform material science but calls for caution regarding its current limitations and applicability.

Abstract

Generative AI is reshaping the design of nanoporous materials by enabling rapid generation and screening of structures with desired properties. This review highlights capabilities, limitations, and practical use of AI for targeted material design.

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Cite This Study

Xie et al. (2025) studied this question.

synapsesocial.com/papers/68a6fb8c5502675167ba8d82https://doi.org/10.1039/d5dd00221d
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