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

由 How, Wei Bin, Wang, Bipeng, Chu, Weibin, Tkatchenko, Alexandre, Prezhdo, Oleg V.
出版 2022

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

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