Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials-Reference-Cited by-同舟云学术

Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials

Published:2015 Issue:13 Volume:17 Page:8356-8371
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kondati Natarajan Suresh¹²³⁴^ORCID,Morawietz Tobias¹²³⁴,Behler Jörg¹²³⁴

Affiliation:

1. Lehrstuhl für Theoretische Chemie

2. Ruhr-Universität Bochum

3. D-44780 Bochum

4. Germany

Abstract

We report a reactive neural network potential for protonated water clusters that accurately represents the density-functional theory potential-energy surface.

Funder

Studienstiftung des Deutschen Volkes

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/2015/CP/C4CP04751F

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