Stability, Electronic Structure, and Phase Diagrams of Novel Inter- Semiconductor Compounds. - L. G. Ferreira; Suhuai Wei; Alex Zunger (Int. J. High Perform. Comput. Appl., 1991)

Effective lifetime of non-equilibrium carriers in semiconductors from non-adiabatic molecular dynamics simulations. - Shanshan Wang; Menglin Huang; Yu-Ning Wu; Weibin Chu; Jin Zhao; Aron Walsh; Xin-Gao Gong; Suhuai Wei; Shiyou Chen (Nat. Comput. Sci., 2022)

Defect modeling and control in structurally and compositionally complex materials. - Xie Zhang; Jun Kang; Suhuai Wei (Nat. Comput. Sci., 2023)

PyArc: A python package for computing absorption and radiative coefficients from first principles. - Siyuan Xu; Zheng Liu; Xun Xu; Yuzheng Guo; Suhuai Wei; Xie Zhang (Comput. Phys. Commun., 2024)