Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces-Reference-Cited by-同舟云学术

Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces

Published:2016 Issue:41 Volume:18 Page:28704-28725
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Natarajan Suresh Kondati¹²³⁴^ORCID,Behler Jörg¹²³⁴

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.

1. The interaction of water with solid surfaces: fundamental aspects revisited

2. Molecular Structure of Water at Interfaces: Wetting at the Nanometer Scale

3. Water adsorption and the wetting of metal surfaces

4. Probing Liquid/Solid Interfaces at the Molecular Level

5. A molecular perspective of water at metal interfaces

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