Machine learning highlights chemistry as the key factor in metal–organic frameworks for atmospheric water harvesting

Grand Canonical Monte Carlo simulations of diverse MOFs reveal key structure–function relationships. Machine learning identifies chemical features governing water uptake and atmospheric water harvesting performance.

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Publication Details

Journal
Molecular Systems Design & Engineering
Published
2025-10-07
DOI
https://doi.org/10.1039/d5me00101c
Primary Topic
Metal-Organic Frameworks: Synthesis and Applications
Type
article
Field-Weighted Citation Impact
0.00
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article

Machine learning highlights chemistry as the key factor in metal–organic frameworks for atmospheric water harvesting

Nour Alkhatib, Serdal Kırmızıaltın, Saifeldeen Abed Alrhman
Molecular Systems Design & Engineering
Metal-Organic Frameworks: Synthesis and Applications
article

Machine learning highlights chemistry as the key factor in metal–organic frameworks for atmospheric water harvesting

Nour Alkhatib, Serdal Kırmızıaltın, Saifeldeen Abed Alrhman
article en

Abstract

Grand Canonical Monte Carlo simulations of diverse MOFs reveal key structure–function relationships. Machine learning identifies chemical features governing water uptake and atmospheric water harvesting performance.

Molecular Systems Design & EngineeringVol. 11(1)
New York University Abu Dhabi (AE), New York University (US)
Openalex Percentile: Top 77%
Metal-Organic Frameworks: Synthesis and Applications
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