Machine-learning molecular simulations show role of atomic-scale roughness in hydrophilicity

Simulations comparing aluminum oxide models with differing amounts of corrugation demonstrate the significance of hydroxyl groups in water interactions.

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Publication Details

Journal
Scilight
Published
2025-11-20
DOI
https://doi.org/10.1063/10.0041776
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00
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article

Machine-learning molecular simulations show role of atomic-scale roughness in hydrophilicity

Adam Liebendorfer
Scilight
Machine Learning in Materials Science
article

Machine-learning molecular simulations show role of atomic-scale roughness in hydrophilicity

Adam Liebendorfer
article en

Abstract

Simulations comparing aluminum oxide models with differing amounts of corrugation demonstrate the significance of hydroxyl groups in water interactions.

ScilightVol. 2025(47)
Openalex Percentile: Top 72%
Machine Learning in Materials Science
DOIOpen Access PDFOpenAlex
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