Muse: Multi-algorithm collaborative crystal structure prediction. - Zhong-Li Liu (Comput. Phys. Commun., 2014)

Phasego: A toolkit for automatic calculation and plot of phase diagram. - Zhong-Li Liu (Comput. Phys. Commun., 2015)

Phasego 2.0: Counting full anharmonic effects from high-temperature phonon density of states. - Zhong-Li Liu (Comput. Phys. Commun., 2015)

Phasego 3.0: Automatic analysis of synthesis and decomposition conditions for compounds. - Zhong-Li Liu; Qian-Ku Hu; Hai-Yan Wang; Xiao-Feng Li (Comput. Phys. Commun., 2016)

Direct anharmonic correction method by molecular dynamics. - Zhong-Li Liu; Rui Li; Xiu-Lu Zhang; Nuo Qu; Ling-Cang Cai (Comput. Phys. Commun., 2017)

ElasTool: An automated toolkit for elastic constants calculation. - Zhong-Li Liu; Chinedu Ekuma; Wei-Qi Li; Jian-Qun Yang; Xingji Li (Comput. Phys. Commun., 2022)

ElasTool v3.0: Efficient computational and visualization toolkit for elastic and mechanical properties of materials. - Chinedu Ekuma; Zhong-Li Liu (Comput. Phys. Commun., 2024)