Structural evolution and electronic properties of pure and semiconductor atom doped in clusters: Inn-, InnSi-, and InnGe- (n = 3-16). - Kai Wang 082; Lin Miao; Zezhao Jia; Runyu Wang; Guangjia Yin; Xiaodong Zhu; Ramiro Moro; Lei Ma (J. Comput. Chem., 2022)

Cr2Gen- (n = 15-20) clusters with two Cr atoms exhibited antiferromagnetic coupling. - Kai Wang 082 (J. Comput. Chem., 2023)

Magnetic properties of CrMnGen (n = 3-20) clusters. - Kai Wang 082; Jun Zhao; Junji Guo; Shanbao Chen; Yapeng Zhao; Jiaye Chen; Yarui Wang; Le Liu; Chaoyong Wang; Zhiqing Liu (J. Comput. Chem., 2024)

Discovery of a series of silicon-based ferrimagnets in CrMnSin (n = 4-20) clusters. - Kai Wang 082; Ying Zhang; Chaoyong Wang; Jun Zhao; Le Liu; Jiaye Chen; Yarui Wang (J. Comput. Chem., 2024)

PGA: A new particle swarm optimization algorithm based on genetic operators for the global optimization of clusters. - Kai Wang 082 (J. Comput. Chem., 2024)

Unveiling the Antiferromagnetic Properties of Cr2Pbn (n = 3-20) Clusters. - Kai Wang 082; Shuai Xu; Yan Zhang (J. Comput. Chem., 2025)