Haoke Qiu

Researcher on AI for Science · University of Science and Technology of China & Changchun Institute of Applied Chemistry, CAS

About me

I am dedicated to developing Scientific Artificial Intelligence for polymers, molecules, and materials. My research focuses on leveraging AI to bridge the gap between molecular-scale understanding and macroscale material properties, enabling demand-driven material design.

I completed my doctoral training at the University of Science and Technology of China (USTC) and the Changchun Institute of Applied Chemistry (CIAC), Chinese Academy of Sciences, advised by Prof. Zhao-Yan Sun. During my PhD, I also pursued AI for Science research with Microsoft AI for Science, DP Technology, and Xiaomi AI Lab.

Real materials exhibit complex multi-scale structures that serve as a bridge between composition-processing and target properties. However, existing AI approaches have only established fragmented point-to-point mappings, without building complete multi-scale structure-property relationships. My goal is to construct unified AI frameworks that capture the full panoramic mapping from molecular structure to material performance.

By integrating data and domain knowledge, I develop large-scale models for multi-scale materials engineering that discover potential relationships between scales and enable precise analysis of structure-property relationships.

Portrait of Haoke Qiu
Research
Scientific AI Polymers & materials Molecular modeling Multi-scale structure–property mapping Agentic for Science
Education
  • Ph.D., 2021–2026 Polymer physics (AI for Science), USTC & CIAC

Recent News

Apr 1, 2026
Invited to serve as a reviewer for the ICML AI for Science Workshop (2026).
Oct 18, 2025
Presented an oral talk at the 5th Tang Aoqing Doctoral Students Academic Forum, Changchun.
Jul 20, 2024
Presented an oral talk at China Materials Conference 2024, Guangzhou.
May 15, 2024
Presented an oral talk at the National Graduate Academic Forum on Polymer Science (2024), Shanghai.
Jun 18, 2023
Presented an oral talk at the 33rd Congress of the Chinese Chemical Society, Qingdao.

Awards

  • National Scholarship for Doctoral Students（博士生国家奖学金）
  • Outstanding Doctoral Graduate of Anhui Province（安徽省优秀博士毕业生）
  • Outstanding Doctoral Graduate of USTC（中国科大优秀博士毕业生）
  • National Scholarship for Undergraduate Students（本科生国家奖学金）
  • Sanhao Student of Heilongjiang Province（黑龙江省三好学生）

Academic Services

  • Invited topic reviewer, ICML AI for Science Workshop, 2026.
  • Peer review for journals including:
    • Artificial Intelligence Review
    • Journal of Membrane Science
    • Chemical Engineering Journal
    • npj Computational Materials
    • npj Artificial Intelligence
    • npj Materials Degradation
    • ACS Applied Polymer Materials
    • ChemPlusChem
    • Computational Materials Science
    • Communications Sustainability
    • Discover Materials
    • Discover Chemistry
    • International Journal of Oral Science
    • Journal of Fluorescence
    • Macromolecular Materials and Engineering
    • npj Soft Matter
    • RSC Sustainability
    • Scientific Reports
    • …

Collaborators