and dynamical calculations from high-level ab initio calculations remains a challenge. Here,
we present a detailed study on constructing potential energy surfaces using a machine
learning method, namely, Gaussian process regression. Tests for the 3A ″state of SH2,
which facilitates the SH+ H↔ S (3P)+ H2 abstraction reaction and the SH+ H′↔ SH′+ H
exchange reaction, suggest that the Gaussian process is capable of providing a reasonable …