AIMat/
Editorial Board

Editorial Board

  • Editor-in-Chief

    • Prof.  Zongyou Yin

      Research School of Chemistry, The Australian National University, Canberra, Australia.

      Research Interests:
      solar fuels; batteries; wearables; data-driven materials innovations.
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  • Co Editors-in-Chief

    • Prof.  Hao Li

      Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, Sendai, Japan.

      Research Interests:
      AI for materials; materials theory; database; digital catalysis.
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    • Prof.  Sen Lin

      Department of Chemistry, Fuzhou University, Fuzhou, China.

      Research Interests:
      computational catalysis; dynamics at surface interfaces.
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  • Editorial Board Members

    • Prof.  Yaqiong Su

      School of Chemistry, Xi’an Jiaotong University, Xi’an, China.

      Research Interests:
      AI for materials; materials theory; database; digital catalysis.
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    • Prof.  Jin-Xun Liu

      Department of Chemical Physics, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, China.

      Research Interests:
      Theoretical catalysis; Theoretical modeling; Reaction mechanism; DFT calculations; Machine-learning guided catalysts design.
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    • Dr.  Carla Verdi

      School of Mathematics and Physics, The University of Queensland, Brisbane, Australia.

      Research Interests:
      materials modelling; density-functional theory; machine learning potentials; molecular dynamics; optoelectronics; quantum technologies.
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    • Prof.  Ting Liao

      School of Mechanical, Medical and Process Engineering, Faculty of Engineering, Queensland University of Technology, Brisbane, Australia.

      Research Interests:
      Nanomaterials design; Computational modelling; Sustainable energy harvesting; conversion; and storage.
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    • Asst. Prof.  Haobo Li

      School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore.

      Research Interests:
      AI-Driven Energy Chemistry; Theoretical Catalysis; Quantum Chemical Computation; Experimental Data Mining.
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    • Prof.  Liang Zhang

      School of Vehicle and Mobility, Tsinghua University, Beijing, China.

      Research Interests:
      catalysis; energy; materials; AI.
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    • Dr.  Benjamin W. J. Chen

      Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), Singapore.

      Research Interests:
      AI and machine learning for catalysis design; scalable high-throughput computations; multiscale computational heterogeneous catalysis; sustainability and energy.
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    • Assist. Prof.  Mingjie Liu

      Department of Chemistry, University of Florida, Gainesville, FL 32611, USA.

      Research Interests:
      machine learning; generative AI; materials; molecules; energy materials; catalysis; polymers.
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    • Dr.  Ziyun Wang

      School of Chemical Science, Faculty of Science, University of Auckland, Auckland, New Zealand.

      Research Interests:
      machine learning; computational chemistry; theoretical catalysis.
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    • Prof.  Haitao Zhao

      Department of Electrical and Electronic Engineering, The Hong Kong Polytechnic University, Hong Kong, China.

      Research Interests:
      data-driven robotic synthesis; AI & robotics for material intelligence.
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  • Youth Editorial Board

    • Dr.  Haifeng Qi

      School of Chemistry, Cardiff University, Cardiff, UK.

      Research Interests:
      single-atom catalysis; biomass valorization; amination; X-ray absorption spectra.
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    • Prof.  Meigui Xu

      College of Chemical Engineering, Nanjing Tech University, Nanjing, China.

      Research Interests:
      solid oxide cell (SOC); perovskite oxides.
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    • Assoc. Prof.  Zheng-Hao Li

      State Key Laboratory of Advanced Environmental Technology, Department of Environmental Science and Engineering, University of Science and Technology of China, Hefei, China.

      Research Interests:
      environmental catalysis; water purification; micropollutant decontamination.
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    • Prof.  Guixiang Li

      School of Materials Science and Engineering, Southeast University, Nanjing, China.

      Research Interests:
      thin film photovoltaics; perovskite solar cells; functional materials; electrocatalysis; energy conversion.
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    • Prof.  Tianwei He

      School of Materials Science and Engineering, Yunnan University, Kunming, China.

      Research Interests:
      computational catalysis; machine learning; CO2 reduction reaction; photo/electrocatalysis.
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    • Assist. Prof.  Pengfei Ou

      Department of Chemistry, Faculty of Science, National University of Singapore, Singapore, Singapore.

      Research Interests:
      computational catalysis; machine learning; electrochemistry.
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    • Prof.  Gangqiang Yu

      College of Environmental Science and Engineering, Beijing University of Technology, Beijing, China.

      Research Interests:
      thermodynamics; molecular simulation; separation process; ionic liquids and deep eutectic solvents; artificial intelligence for chemical processes and molecular design; waste Li-ion battery recycling.
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    • Prof.  Di Zhang

      Advanced Institute of Material Research, Tohoku University, Sendai, Japan.

      Research Interests:
      database and knowledge hraphs; material AI agents; machine learning potentials.
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    • Dr.  Wenbo Xie

      School of Physical Sciences and Technology, ShanghaiTech University, Shanghai, China.

      Research Interests:
      machine learning, DFT, heterogeneous catalysis.
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    • Prof.  Qiang Sun

      Materials Genome Institute, Shanghai University, Shanghai, China.

      Research Interests:
      materials informatics; machine learning; autonomous lab; nanomaterials.
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    • Dr.  Piao Ma

      CTO, MatSource AI Technology, Suzhou, China.

      Research Interests:
      AI for science; AI agent; catalysts; solid-state electrolyte; DFT; Molecular dynamics.
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    • Prof.  Lei Zhang

      School of Software, Nanjing University of Information Science and Technology, Nanjing, China.

      Research Interests:
      materials informatics; AI4S; AI+Materials; natural language processing; large language model.
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    • Assoc. Prof.  Zhongheng Fu

      Institute for Advanced Materials and Technology, University of Science and Technology Beijing, Beijing, China

      Research Interests:
      intelligent design of corrosion-resistant materials; the application of large language models in materials science
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    • Prof.  Kai Wang

      School of Electrical Engineering, Qingdao University, Qingdao, China.

      Research Interests:
      intelligent control and security defense of the new power system; smart building energy; condition assessment and life prediction of new energy storage devices; electricity market and electricity economy; energy storage component; storage and conversion of new energy; distributed microgrids and energy storage; energy internet.
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    • Dr.  Donglin He

      Sustainable Energy and Environment Thrust, The Hong Kong University of Science and Technology (Guangzhou), Guangzhou, China.

      Research Interests:
      robotic synthesis; crystalline porous materials; adsorption and separation; crystal engineering.
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