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

by Xu, Shidang, Liu, Xiaoli, Cai, Pengfei, Li, Jiali, Wang, Xiaonan, Liu, Bin
Published 2023

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

by Li, Yuheng, Lee, Damien KJ, Cai, Pengfei, Zhang, Ziyi, Gorai, Prashun, Canepa, Pieremanuele
Published 2024