Scientific Research

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Research Field
  • Topological quantum materials for energy applications

    Design of new materials with machine learning

    Computational design of battery materials, thermoelectric materials, CO2 conversion materials, hydrogen storage materials, multifunctional 2D materials, and cluster-based materials


Published Books
  • P. Jena and Q. Sun (Eds.), Superatoms: Principles, Synthesis, and Applications (Wiley 2022).

    Q. Sun, Y.W. Li, and H. M. Shen, Theory and Research Progress of COConversion (Science Press 2022, Beijing), in Chinese.

    P. Jena, A. Kanadalam, and Q. Sun (Eds.), Materials Issues in a Hydrogen Economy (World Scientific Press 2009).

    Z. J. Deng, Q. Sun, Q. Wang, J. Li, Y-P. Liang, and Z-Y. Liu, Ultrafine Particles and Their Aggregates (South-West University Press 1998, Chongqing), in Chinese.

    Z. J. Deng, Q. Sun, and Q. Wang, Ultrafine Particles and Fractals (South-West University Press 1993, Chongqing), in Chinese.


Academic activities
  • Organizer of “Theory and Simulation in Energy and Fuel Production and Utilization”, Division of Energy and Fuel”, 244th ACS meeting, Aug. 19-22, 2012,Philadelphia, USA.

    Organizer of “International Symposium on Nanostructures and Their Applications in Renewable Energy”, Oct.24-27, 2013, Beijing.

    Co-organizer of “In Silico Materials Chemistry,” MRS Meeting, Nov.27-Dec.2, 2016,Boston, USA.

    Co-organizer of “Computational Approaches in Design of Ceramics for Energy Applications”, Aug 30-Sept.4, 2015, Jeju, Korea.

    Associate Editor (2009-2015), Journal of Renewable and Sustainable Energy (JRSE), Sponsored by AIP.

    Board Member: National Materials and Devices Network:   http://www.chinamaterial.org.cn/page/html/about.php

    Board Member: Computational Materials Science Branch of Chinese Materials Research Society: http://www.ccmrs.cn

    Editorial Board Member:  Materials Science and Nanotechnology

    Editorial Board Member:  Annals of Materials Science & Engineering

    Board Member: China Association for Hydrogen Energy