She focuses on datadriven highthroughput materials computation and automated computational workflow design, combining theory and experiment to develop new energy materials and thermoelectric materials. As (co)first author, she has published over 20 innovative, cuttingedge papers in internationally renowned journals such as Nature, Energy Environ. Sci., Adv. Energy Mater., and Chem. Mater., among which 9 papers have each been cited more than 100 times, with total citations exceeding 2200.

1. Haodong Liu; Zhuoying Zhu; Qizhang Yan; Sicen Yu; Xin He; Yan Chen; Rui Zhang; Lu Ma; Tongchao Liu; Matthew Li; Ruoqian Lin; Yiming Chen; Yejing Li; Xing Xing; Yoonjung Choi; Lucy Gao; Helen Sung-yun Cho; Ke An; Jun Feng; Robert Kostecki; Khalil Amine; Tianpin Wu; Jun Lu; Huolin Xin; Shyue Ping Ong; Ping Liu; A Disordered Rock Salt Anode for Fast-charging Lithium- ion Batteries, Nature, 2020, 585: 63-67.

2. Jiwoong Bae; Zhuoying Zhu; Jiajun Yan; Dong-Min Kim; Youngmin Ko; Anubhav Jain; Brett A. Helms; Closed-loop cathode recycling in solid-state batteries enabled by supramolecular electrolytes; Science Advances, 2023, 9(32).

3. Xin He; Jue Wu; Zhuoying Zhu; Haodong Liu; Ning Li; Dong Zhou; Xu Zhou; Haowei Zhang; Dominic Bresser; Yanbo Fu; Matthew J. Crafton; Bryan D. McCloskey; Yan Chen; Ke An; Ping Liu; Anubhav Jain; Jie Li; Wanli Yang; Yong Yang; Martin Winter; Robert Kostecki; Chemical and structural evolution of Li-Mn-rich layered electrodes under different current densities, Energy and Environmental Science, 2022, 15: 4137-4147.

4. Zhuoying Zhu; Hanmei Tang; Ji Qi; Xiang-Guo Li; Shyue Ping Ong; Design Principles for Cation-Mixed Sodium Solid Electrolytes, Adv. Energy Mater., 2021, 11(7): 2003196.

5. Zhuoying Zhu; Iek-Heng Chu; Shyue Ping Ong; Li3Y(PS4)2 and Li5PS4Cl2: New Lithium Superionic Conductors Predicted from Silver Thiophosphates using Efficiently Tiered Ab Initio Molecular Dynamics Simulations, Chem. Mater., 2017, 29: 2474-2484.