Elastic3rd: A tool for calculating third-order elastic constants from first-principles calculations. - Mingqing Liao; Yong Liu; Shun-Li Shang; Fei Zhou; Nan Qu; Yichuan Chen; Zhonghong Lai; Zi-Kui Liu; Jingchuan Zhu (Comput. Phys. Commun., 2021)

Comparing Forward and Inverse Design Paradigms: A Case Study on Refractory High-Entropy Alloys. - Arindam Debnath; Lavanya Raman; Wenjie Li; Adam M. Krajewski; Marcia Ahn; Shuang Lin; Shun-Li Shang; Allison M. Beese; Zi-Kui Liu; Wesley F. Reinhart (CoRR, 2023)

ZENN: A Thermodynamics-Inspired Computational Framework for Heterogeneous Data-Driven Modeling. - Shun Wang; Shun-Li Shang; Zi-Kui Liu; Wenrui Hao (CoRR, 2025)