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Random Sampling High Dimensional Model Representation Gaussian Process Regression (RS-HDMR-GPR) for Multivariate Function Representation: Application to Molecular Potential Energy Surfaces

Boussaidi, Mohamed Ali, Ren, Owen, Voytsekhovsky, Dmitry, Manzhos, Sergei
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Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.0c05935
Date:
August, 2020
File:
PDF, 1.56 MB
2020
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