Academic Qualification

Ph.D. in Institute of Applied Physics and Materials Engineering, University of Macau

Bachelor in Shandong University

Teaching Area

Special Topics in Automation and Systems Engineering I

Research Area

AI for Science (AI4S) and AI for Materials (AI4M)

High-throughput computation

Materials genome and databases

Data-driven design of materials

Quantum computing

Professional Services

Reviewer, npj Computational Materials

Reviewer, npj 2D Materials and Applications

Reviewer, The Journal of Supercomputing

Working Experience

Jul. 2026 ~ present, Assistant Professor, Department of Engineering Science, Faculty of Innovation Engineering, Macau University of Science and Technology

Apr. 2025 ~ Jun. 2026, Assistant Researcher, High-Throughput Computing (HTC) Department, Contemporary Amperex Technology Co., Ltd. (CATL), Ningde

Jan. 2024 ~ Apr. 2025, Postdoctoral Fellow, Department of Materials Science and Engineering, Johns Hopkins University, Baltimore

Academic Publication (selected)

# equal contribution

1.          Guotao Qiu, Tianhao Li, Xiao Xu, Yuxiang Liu, Maya Niyogi, Katie Cariaga, and Corey Oses, High entropy powering green energy: hydrogen, batteries, electronics, and catalysis, npj Computational Materials, 11: 145, 2025.

2.          Guotao Qiu, Zongjin Li, Kun Zhou, and Yongqing Cai, Flexomagnetic noncollinear state with a plumb line shape spin configuration in edged two-dimensional magnetic CrI3, npj Quantum Materials, 8: 15, 2023.

3.          Guotao Qiu, Yongqing Cai, and Zongjin Li, Multiscale investigation of magnetic field distortion on surface of ferromagnetic materials caused by stress concentration for metal magnetic memory method, Computational Materials Science, 209: 111353, 2022.

4.          Jianhui Chen#, Guotao Qiu#, Yin Wang, and Xushan Zhao, Investigating competitive formation of key organic SEI components in lithium-ion batteries via first-principles calculations and global optimization, Journal of Materials Chemistry A, 2026.

5.          Kangdi Niu#, Guotao Qiu#, Chuanshou Wang, Daiyue Li, Yutao Niu, Songge Li, Lixing Kang, Yongqing Cai, Mengjiao Han, and Junhao Lin, Self-intercalated magnetic heterostructures in 2D chromium telluride, Advanced Functional Materials, 33(2): 2208528, 2023.

6.          Tianyao Gong, Guotao Qiu, Mo-Rigen He, Olga V. Safonova, Wei-Chang Yang, David Raciti, Corey Oses, and Anthony Shoji Hall, Atomic ordering-induced ensemble variation in alloys governs electrocatalyst on/off states, Journal of the American Chemical Society, 147(1): 510-518, 2025.

7.          Xiao Xu, Guangshuai Han, Tianhao Li, Jiayue Hu, Guotao Qiu, Shao-Yu Tseng, Gyeong Ho Han, Alexander D. Dupuy, Anthony Shoji Hall, and Corey Oses, Stabilizing Iodine in Pyrochlore: Toward New Nuclear Waste Forms, Precision Chemistry, 2026.

8.          Corey Oses, Tianhao Li, Xiao Xu, Guangshuai Han, Guotao Qiu, and Jonathan R. Owens, Beyond the four core effects: revisiting thermoelectrics with a high-entropy design, Materials Horizons, 12: 5946-5956, 2025.

9.          Xing Ming, Wen Si, Qinglu Yu, Zhaoyang Sun, Guotao Qiu, Mingli Cao, Yunjian Li, and Zongjin Li, Molecular insight into the initial hydration of tricalcium aluminate, Nature Communications, 15: 2929, 2024.

Patents

Guotao Qiu, Shuhai Wu, Chuanqing Fu, Qiang Li, Qingfa Wu, Wanhuan Zhou, and Zongjin Li, Method, Device and Storage Medium for Detecting Corrosion of Concrete Reinforcement, Chinese Patent CN118190762A, published Jun. 14, 2024.

Xiuling Sun, Guotao Qiu, Meng Zhang, Pengfei Liu, Min Chen, and Xuemei Wang, An Integrated System for Road Rainwater Treatment and Utilization Based on Water Source Protection, Chinese Patent CN108385469B, granted Mar. 29, 2024.

Professional Society Membership

Member, The Minerals, Metals & Materials Society (TMS)