Kyoung Kweon

Contact information:

Lawrence Livermore National Laboratory
7000 East Avenue, L-413
Livermore, CA 94550
phone: 925-423-5801
fax: 925-423-5733

Google Scholar profile


  • Ph.D., Electrical and Computer Engineering, University of Texas at Austin (2012)
  • M.S., Electrical and Computer Engineering, University of Texas at Austin (2007)
  • B.S.,Electrical and Electronic Engineering, Yonsei University (2005)

Research Interests:

Using density functional theory (conventional and hybrid)

  • Investigating structural and electronic properties of extended defects in Cd(Zn)Te radiation detector and their effects on the charge transport
  • Developing glass scintiallators combined with classical moelcular dynamics
  • Elucidating mechanisms of  Li and Na superionic conduction in polyhedral boron-hydrogen compounds
  • Structural and electronic properties of metal oxides for energy applications

Recent publications:

  • K.E. Kweon and V. Lordi, “First principles study of the structural, electronic and optical properties of Sn2+ doped ZnO-P2O5 glasses”, J. Non-cryst. Solids , 492,108 (2018)
  • T.A. Pham, K.E. Kweon, A. Samanta, V. Lordi, and J.E. Pask, “Solvation and Dynamics of Sodium and Potassium in Ethylene Carbonate from ab Initio Molecular Dynamics Simulations”, J. Phys. Chem. C, 121, 21913 (2017)
  • K.E. Kweon, J. Varley, P. Shea, N. Adelstein, P. Mehta, T. Heo, T. Udovic, V. Stavila, and B.C. Wood, “Structural, Chemical, and Dynamical Frustration: Origins of Superionic Conductivity in closo-Borate Solid Electrolytes”, Chem. Mater., 29, 9142 (2017)
  • J.B. Varley, K. Kweon, P. Mehta, P. Shea, T.W. Heo, T.J. Udovic, V. Stavila, and B.C. Wood, “Understanding lonic conductivity trends in polyborane solid electrolytes from ab initio molecular dynamics”, ACS Energy Lett., 2, 250 (2017)
  • K.E. Kweon, D. Aberg, and V. Lordi, “First-principles study of atomic and electronic structure of 60° perfect and 30°/90° partial glide dislocations in CdTe”, Phys. Rev. B, 93, 174109 (2016)
  • J.Cheng, K.E.Kweon, J.S.Zhou, S.A.Larregola, Y. Ding, M.R.Suchomel, K.Matsubayashi, Y.Uwatoko, G.S.Hwang, and J.B.Goodenough, “Charge disproportionation and the pressure-induced insulator-metal transition in cubic perovskite PbCrO3”, Proc. Natl. Acad. Sci. U. S, 112,1670 (2015)
  • K.E.Kweon, G.S.Hwang, J.Kim, and S.Kim, "Electron small polarons and their transport in bismuth vanadate: a first principles study", Phys.Chem.Chem.Phys. 17, 256 (2015).
  • K.E.Kweon, D.Manogaran, and G.S.Hwang, “Synergetic Role of Photogenerated Electrons and Holes in the oxidation of CO to CO2 on Reduced TiO2(110): A First Principles Study", ACS Catalsis, 4, 4051 (2014)
  • P.Ventzek, K.E.Kweon, H.Ueda, M.Oka, Y.Sugimoto, G.S.Hwang,"Formation, nature, and stability of the arsenic-silicon-oxygen alloy for plasma doping of non-planar silicon structures", Appl.Phys.Lett. 105,262102 (2014)
  • J.Cheng*, K.E.Kweon*, J.S.Zhou, J.A.Alonso, P.P.Kong, Y.Liu, C.Q.Jin, J.J.Wu, J.F.Lin, S.A.Larregola, W.G.Yang, G.Y.Shen, A.MacDonald, A.Manthiram, G.S.Hwang, and J.B.Goodenough, “Anomalous perovskite PbRuO3 stabilized under high pressure”, Proc. Natl. Acad. Sci. U. S. 110, 20003 (2013)
  • K.E. Kweon and G.S. Hwang, “Surface structure and hole localization in bismuth vanadate: A first principles study,” Appl. Phys. Lett. 103, 131603 (2013)
  • K.E. Kweon and G.S. Hwang, “Structural phase-dependent hole localization and transport in bismuth vanadate,” Phys. Rev. B 87, 205202 (2013)
  • K.E. Kweon and G.S. Hwang, “Hybrid density functional study of the structural, bonding, and electronic properties of bismuth vanadate,” Phys. Rev. B, 86, 165209 (2012)