What question did this study set out to answer?

The aim is to explore how artificial intelligence enhances the development of metal-organic frameworks.

March 5, 2026Open Access

Artificial Intelligence at the Intersection of Chemistry and Materials Science

Key Points

The aim is to explore how artificial intelligence enhances the development of metal-organic frameworks.
Reviewed recent advancements in metal-organic frameworks (MOFs).
Discussed AI-driven approaches for discovering and designing MOFs.
Identified challenges like data quality assurance and experimental validation.
AI is transforming the discovery process of MOFs.
MOFs are recognized for their high porosity and large surface area.
Significant advancements in design capabilities due to AI have been noted.

Abstract

Research on metal–organic frameworks (MOFs) bridges the fields of chemistry and materials science. MOFs consist of metal ions linked together by long organic molecules. These materials are known for their high porosity and large surface area, with numerous applications ranging from storage of various gases to medical uses. Recent developments show that artificial intelligence (AI) is revolutionizing the discovery and design of MOFs. Despite these advancements in AI-driven approaches in MOFs, many challenges remain in processes such as data quality assurance and experimental validation. In this perspective, we highlight recent progress in MOFs and discuss the role of AI in this truly interdisciplinary field.

Artificial Intelligence at the Intersection of Chemistry and Materials Science

Key Points

Abstract

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