CN version


I’m currently a Ph.D candidate at College of Chemistry and Molecular Engineering (CCME), Peking University (PKU). Previously I graduated from PKU with B. S. degree in Chemistry in 2015.

My research topics focus on developing electronic structure methods beyond density functional theory (DFT) and applying these methods in material simulations. I find this field challenging and hope to see if my work could make an insightful glimpse into the mysterious world.

My mother tongue is Chinese. I also learned English and Japanese. In spare I read, watch movies and make some subtitles. You can check my DouBan and Bilibili accounts for more.


Period Content
2015 - 2021 Graduate study at CCME, PKU
2011 - 2015 B. S. , CCME, PKU


  1. Jiang, H*; Zhang, M.-Y. Density-functional theory methods for electronic band structure properties of materials. Sci. Sin. Chim. 50 (10), 1344-1362 (2020). DOI
  2. Zhang, M.-Y.; Cui, Z.-H. (equal contrib.); Wang, Y.-C.; Jiang, H.* Hybrid functionals with system‐dependent parameters: Conceptual foundations and methodological developments. WIREs Comput. Mol. Sci. 10 (6), e1476 (2020). DOI
  3. Zeng, M.; Liu, J.;Zhou, L.; Mendes, R. G.; Dong, Y.; Zhang, M.-Y.; Cui, Z.-H.; Cai, Z.; Zhang, Z.; Zhu, D.; Yang, T.; Li, X.; Wang, J.; Zhao, L.; Chen, G.; Jiang, H.*; Rümmeli, M. H.; Zhou, H.; Fu, L.* Bandgap tuning of two-dimensional materials by sphere diameter engineering. Nature Mater. 19, 528 (2020). DOI
  4. Zhang, M.-Y.; Jiang, H*.* Electronic band structure of cuprous and silver halides: An all-electron GW study. Phys. Rev. B 100, 205123 (2019). DOI
  5. Zhang, M.-Y.; Cui, Z.-H.; Jiang, H*. Relative stability of FeS2 polymorphs with the random phase approximation approach. J. Mater. Chem. A 6, 6606-6616 (2018). DOI
  6. Cui, Z.-H.; Wang, Y.-C.; Zhang, M.-Y.; Xu, X.; Jiang, H.* Doubly screened hybrid functional: An accurate first-principles approach for both narrow- and wide-gap semiconductors. J. Phys. Chem. Lett. 9, 2338-2345 (2018). DOI
  7. Li, X.; Liu, W.; Zhang, M. (co-1st); Zhong, Y.; Weng, Z.; Mi, Y.; Zhou, Y.; Li, M.; Cha, J. J.; Tang, Z.; et al. Strong Metal–Phosphide Interactions in Core–Shell Geometry for Enhanced Electrocatalysis. Nano Lett. 17 (3), 2057–2063 (2017). DOI


I love reading literature, especially classics, although it’s becoming more difficult for me to find enough patience to read.

I play basketball and used to play for the team of CCME graduate school.
My favourite basketball player is Steve Nash, a member of Naismith Hall of Fame. I also play softball with my friends, starting from the junior year in my undergraduate.

Finally, ACG is the panacea. Those that I have been enjoying reading/watching:

  • Your Lie in April (ja: 四月は君の嘘 shigatsu ha kimino uso): a story of Kousei, a talented young pianist in his slump, his meet with Kaoru, a passionate violinist, and their vague but pathetic love. Both its anime and comic are excellent.
  • 1/11 (ja: じゅういちぶんのいち juuichibunno ichi): comics about the stories of the people through the life of Sora Anndou, a soccer player. It presents a group of images at their own stage of life, which often brings me laughter with tears. There seems no official English or Chinese translation of this comic.