Hao Liジュニア主任研究者 Ph.D.

職名 准教授、ジュニア主任研究者
グループ 数学連携グループ
研究室 Hao Li研究室(新しいタブで開きます)
所在地 片平キャンパス AIMR本館4A
(〒980-8577 仙台市青葉区片平2-1-1)
E-Mail li.hao.b8@tohoku.ac.jp


  • Catalysis and materials theory
  • Data science for materials design
  • Computational methodology development based upon artificial intelligence
  • "e-Refinery” for sustainable production


  • Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces, Nature Catalysis 4 (2021) 463-468, H. Li, S. Kelly, D. Guevarrac, Z. Wang, Y. Wang, J. A. Haber, M. Anand, G. Gunasooriya, C. S. Abraham, S. Vijay, J. M. Gregoire, and J. K. Nørskov
  • Design of a Pd-Au nitrite reduction catalyst by identifying and optimizing active ensembles, ACS Catalysis 9 (2019) 7957-7966, H. Li, S. Guo, K. Shin, M. S. Wong, and G. Henkelman
  • Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces, Journal of Chemical Physics, 149 (2018) 174705, H. Li, K. Shin, and G. Henkelman
  • CuxIr1-x nanoalloy catalysts achieve near 100% selectivity for aqueous nitrite reduction to NH3, ACS Catalysis 10 (2020) 7915-7921, H. Li, C. Yan, H. Guo, K. Shin, S. M. Humphrey, C. J. Werth, and G. Henkelman
  • Understanding trends in ethylene epoxidation on group IB metals, ACS Catalysis, 11 (2021) 12052-12057, H. Li, A. Cao, and J. K. Nørskov


  • Surface Science Young Investigator, ACS Spring Meeting (2022)
  • Top 2% of the World’s Most Highly Cited Scientists, by Elsevier and Stanford University (2021)
  • AIChE Best Fundamental Paper Award, by American Institute of Chemical Engineers (AIChE) (2020)
  • Top 10 Outstanding Reviewer of Chemical Communications, by Royal Society of Chemistry (2020)
  • Emerging Investigators in Materials Chemistry, by Royal Society of Chemistry (2019)