S504 (Meng Min Wei SciTech Bld., TU)
Department of Chemistry
Tsinghua University
Beijing 100084
 P.R. China
Tel: +86-10-62772969

Fax: +86-10-62525573
Email: This email address is being protected from spambots. You need JavaScript enabled to view it.

ResearchID: B-4538-2012

 

                                   

Research Interests

  • Computational materials science
  • MD, MC, and ab init simulations
  • Parallel computing


CV

 
1979-1983
B.Sc. in Physics, Dept. of Physics, Zhongshan Univ., Guangzhou.
 
1996-2002
Ph.D. in Materials Physics and Chemistry, Department of Materials Physics, University of Science and Technology Beijing, Beijing.
 
2001-2002
Visiting scientist at Department of Mechanical Engineering, The Hongkong Polytechnic University, Hong Kong.
  2002-2004  Postdoc at University of Science and Technology Beijing, Beijing.
 
2003-2006
Postdoc at MSE, Georgia Institute of Technology, Atlanta.
 
2006-2010
Assoc. Researcher at Institute of Chemistry, The Chinese Academy of Sciences, Beijing.
  2010-2014 Researcher at Department of Mechanical Engineering, Tsinghua University, Beijing.
  2014-2018 Researcher at SKLAMM, University of Science and Technology Beijing, Beijing.
  2018-now Researcher Assoc. at Dep. of Chemistry, Tsinghua University, Beijing.
 

Recent Selected papers

 
  1. Zhang, Qi; Li, Qi-Kai; Li, Mo, Internal stress and its effect on mechanical strength of metallic glass nanowires, Acta Materialia, 2015, 91, 174-182.
  2. Luo, Yun; Li, Qi-Kai; Li, Mo, Mechanical anisotropy at the nanoscale in amorphous solids,J. of Applied Physics, 2015, 117, 044301.
  3. Zhang, Qi; Li, Qi-Kai; Li, Mo, Processing dependence of mechanical properties of metallic glass nanowires, Applied Physics Letters, 2015, 106, 071905.
  4. Liu Hai; Li Qi-Kai; He Yuan-Hang, Molecular dynamics simulations of shock initiation of hexanitrohexaazaisowurtzitane/ trinitrotoluene cocrystal, Acta Physica Sinica, 2015, 64(1), 018201.
  5. Zhang, Qi; Li, Qi-Kai; Li, Mo, Chemical segregation in metallic glass nanowires,J. of Chemical Physics, 2014, 141, 194701
  6. Qi Zhang, Qikai Li and Mo Li, Melting and superheating in solids with volume shrinkage at melting: A molecular dynamics study of silicon, J. of Chem. Phys., 2013, 138, 044504.
  7. Shan-Shan Qin, Yang-Xin Yu, Qi-Kai Li, and Zhi-Wu Yu, Interaction of Human Synovial Phospholipase A2 with Mixed Lipid Bilayers: A Coarse-Grain and All-Atom Molecular Dynamics Simulation Study, Biochemistry, 2013, 52, 1477-1489

 

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