Using principal component analysis for neural network high-dimensional potential energy surface
Author:
Affiliation:
1. Sorbonne Université, CNRS, Laboratoire de Chimie Physique Matière et Rayonnement, UMR 7614, F-75005 Paris, France
Funder
Labex MiChem
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0009264
Reference39 articles.
1. Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks
2. Ab Initio Molecular Dynamics
3. Inhomogeneous Electron Gas
4. Unified Approach for Molecular Dynamics and Density-Functional Theory
5. A logical calculus of the ideas immanent in nervous activity
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