A Model Order Reduction Algorithm for Estimating the Absorption Spectrum. - Roel Van Beeumen; David B. Williams-Young; Joseph M. Kasper; Chao Yang 001; Esmond G. Ng; Xiaosong Li 001 (CoRR, 2017)

Natural transition orbitals for complex two-component excited state calculations. - Joseph M. Kasper; Xiaosong Li 001 (J. Comput. Chem., 2020)

Exploring Potential Energy Surfaces Using Reinforcement Machine Learning. - Alexis W. Mills; Joshua J. Goings; David Beck; Chao Yang 001; Xiaosong Li 001 (J. Chem. Inf. Model., 2022)