Assessing Gaussian Process Regression and Permutationally Invariant Polynomial Approaches To Represent High-Dimensional Potential Energy Surfaces

Title
Assessing Gaussian Process Regression and Permutationally Invariant Polynomial Approaches To Represent High-Dimensional Potential Energy Surfaces
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 7, Pages 3381-3396
Publisher
American Chemical Society (ACS)
Online
2018-05-31
DOI
10.1021/acs.jctc.8b00298

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