CALYPSO: A method for crystal structure prediction. - Yanchao Wang 003; Jian Lv 002; Li Zhu; Yanming Ma (Comput. Phys. Commun., 2012)

X-ray diffraction data-assisted structure searches. - Pengyue Gao; Qunchao Tong; Jian Lv 002; Yanchao Wang 003; Yanming Ma (Comput. Phys. Commun., 2017)

Large-scale ab initio simulations for periodic system. - Xuecheng Shao; Qiang Xu; Sheng Wang; Jian Lv 002; Yanchao Wang 003; Yanming Ma (Comput. Phys. Commun., 2018)