The comparative study is performed for a general two-state spin-boson model where the performance of the models was assessed by the mean absolute error (MAE) and computational times for training and prediction.
Prof. Pavlo O. Dral's book “Quantum Chemistry in the Age of Machine Learning” was published by Elsevier on 16th September, 2022.
MLatom@XACS team introduced how to use machine learning in chemistry in the CECAM Machine Learning and Quantum Computing for Quantum Molecular Dynamics [MLQCDyn] school.
J. Chem. Phys. 157, 084106 (2022); doi: 10.1063/5.0097614