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Understanding interfacial water and its role in practical applications using molecular simulations

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Abstract

Interfacial water is believed to determine practical outcomes in systems of interest to biology, materials science, geology, and many other disciplines. In this article, recent progress in understanding interfacial water achieved using molecular simulations is reviewed. After the reliability of recent approaches is discussed, three possible research directions are described. These future developments promise to have a large impact on both fundamental science and applications of societal importance.

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Acknowledgements

The author is grateful to several agencies for generous financial support. In particular, the US Department of Energy, the US National Science Foundation, the Alfred P. Sloan Foundation (via the Deep Carbon Observatory), and the EU Marie Curie Career Integration Grant are thankfully acknowledged.

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  1. Department of Chemical Engineering, University College London, United Kingdom

    Alberto Striolo

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  1. Alberto Striolo
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Striolo, A. Understanding interfacial water and its role in practical applications using molecular simulations. MRS Bulletin 39, 1062–1068 (2014). https://doi.org/10.1557/mrs.2014.281

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