Interpolation and Extrapolation of Global Potential Energy Surfaces for Polyatomic Systems by Gaussian Processes with Composite Kernels

Published 2020 View Full Article

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Title
Interpolation and Extrapolation of Global Potential Energy Surfaces for Polyatomic Systems by Gaussian Processes with Composite Kernels
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume -, Issue -, Pages -
Publisher
American Chemical Society (ACS)
Online
2020-01-22
DOI
10.1021/acs.jctc.9b00700

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