DOI: 10.1039/c6cp05711j. Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces

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

10.1039/c6cp05711j

Crossref journal-article

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics (292)

Abstract

Molecular dynamics simulation of the water–copper interface have been carried out using high-dimensional neural network potential based on density functional theory.

Bibliography

Natarajan, S. K., & Behler, J. (2016). Neural network molecular dynamics simulations of solidâliquid interfaces: water at low-index copper surfaces. Physical Chemistry Chemical Physics, 18(41), 28704â28725.

Authors 2

Suresh Kondati Natarajan (first)
Jörg Behler (additional)

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Dates

Type	When
Created	8 years, 10 months ago (Sept. 30, 2016, 5:12 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 6:15 p.m.)
Indexed	5 days, 19 hours ago (Aug. 23, 2025, 1:13 a.m.)
Issued	9 years, 7 months ago (Jan. 1, 2016)
Published	9 years, 7 months ago (Jan. 1, 2016)
Published Online	9 years, 7 months ago (Jan. 1, 2016)

Funders 1

Deutsche Forschungsgemeinschaft 10.13039/501100001659
Region: Europe
gov (National government)
Labels3
1. German Research Association
2. German Research Foundation
3. DFG
Awards3
1. RESOLV (EXC 1069)
2. Be3264/6-1
3. Be3264/5-1

BibTeX

@article{Natarajan_2016, title={Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces}, volume={18}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/c6cp05711j}, DOI={10.1039/c6cp05711j}, number={41}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Natarajan, Suresh Kondati and Behler, Jörg}, year={2016}, pages={28704–28725} }

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