ATLAS: A real-space finite-difference implementation of orbital-free density functional theory. - Wenhui Mi; Xuecheng Shao; Chuanxun Su; Yuanyuan Zhou; Shoutao Zhang; Quan Li; Hui Wang; Lijun Zhang 017; Maosheng Miao; Yanchao Wang 003; Yanming Ma (Comput. Phys. Commun., 2016)

ELSI: A unified software interface for Kohn-Sham electronic structure solvers. - Victor Wen-zhe Yu; Fabiano Corsetti; Alberto García; William P. Huhn; Mathias Jacquelin; Weile Jia; Björn Lange; Lin Lin 001; Jianfeng Lu 001; Wenhui Mi; Ali Seifitokaldani; Álvaro Vázquez-Mayagoitia; et al. (Comput. Phys. Commun., 2018)

eQE 2.0: Subsystem DFT beyond GGA functionals. - Wenhui Mi; Xuecheng Shao; Alessandro Genova; Davide Ceresoli; Michele Pavanello (Comput. Phys. Commun., 2021)

Bridging Theory and Experiment in Materials Discovery: Machine-Learning-Assisted Prediction of Synthesizable Structures. - Yu Xin; Peng Liu; Zhuohang Xie; Wenhui Mi; Pengyue Gao; Hong Jian Zhao; Jian Lv; Yanchao Wang; Yanming Ma (CoRR, 2025)