Machine-Learning-Assisted Accurate Prediction of Molecular Optical Properties upon Aggregation

由 Xu, Shidang, Liu, Xiaoli, Cai, Pengfei, Li, Jiali, Wang, Xiaonan, Liu, Bin
出版 2023

A database of computed Raman spectra of inorganic compounds with accurate hybrid functionals

由 Li, Yuheng, Lee, Damien KJ, Cai, Pengfei, Zhang, Ziyi, Gorai, Prashun, Canepa, Pieremanuele
出版 2024