Effect of an underdamped vibration with both diagonal and off-diagonal exciton-phonon interactions on excitation energy transfer. - Yu-Chen Wang; Yi Zhao 008 (J. Comput. Chem., 2019)

Singlet/triplet exciton dissociation and charge recombination in donor-acceptor ThQs-C60/PDIxCN2 complexes. - ZhiYe Zhu; Yi Zhao 008; WanZhen Liang (J. Comput. Chem., 2019)

Convolutional Neural Networks for the Design and Analysis of Non-Fullerene Acceptors. - Shi-Ping Peng; Yi Zhao 008 (J. Chem. Inf. Model., 2019)

Comment on "A posteriori localization of many-body excited states through simultaneous diagonalization". - Yu-Chen Wang; Shishi Feng; WanZhen Liang; Yi Zhao 008 (J. Comput. Chem., 2023)