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Neural-network-based molecular dynamics simulations reveal that proton transport in water is doubly gated by sequential hydrogen-bond exchange

Published Online: 2024-08-20

Published Print: 2024-11

Authors

Gomez, Axel https://orcid.org/0000-0002-0378-4352
Thompson, Ward H. https://orcid.org/0000-0002-3636-6448
Laage, Damien https://orcid.org/0000-0001-5706-9939
Funding

Funding for this research was provided by:

Grand Équipement National De Calcul Intensif (A0110707156)

Ministère de l'Education Nationale, de l'Enseignement Supérieur et de la Recherche

DOE | SC | Chemical Sciences, Geosciences, and Biosciences Division (DE-SC0021114)
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Text and Data Mining valid from 2024-08-20

Version of Record valid from 2024-08-20
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Article History

Received: 1 April 2024

Accepted: 3 July 2024

First Online: 20 August 2024

Competing interests

: The authors declare no competing interests.

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