Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces
Author:
Affiliation:
1. Lehrstuhl für Theoretische Chemie
2. Ruhr-Universität Bochum
3. D-44780 Bochum
4. Germany
Abstract
Molecular dynamics simulation of the water–copper interface have been carried out using high-dimensional neural network potential based on density functional theory.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP05711J
Reference140 articles.
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5. A molecular perspective of water at metal interfaces
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