Significance of the chemical environment of an element in nonadiabatic molecular dynamics: feature selection and dimensionality reduction with machine learning

by How, Wei Bin, Wang, Bipeng, Chu, Weibin, Tkatchenko, Alexandre, Prezhdo, Oleg V.
Published 2022

Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites

by How, Wei Bin, Wang, Bipeng, Chu, Weibin, Kovalenko, Sergiy M., Tkatchenko, Alexandre, Prezhdo, Oleg V.
Published 2022