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Phone: 972-883-2845
Office: RL 4.710










KJ Cho

Associate Professor, University of Texas at Dallas 2006-present
Assistant Professor, Stanford University 1997-2006


1994 PhD, MIT
1988 MS, Seoul National University
1986 BS, Seoul National University

Research Summary

KJ Cho's main area of research and teaching is multiscale modeling and simulation of nanoscale materials. In his research group (Multiscale Simulation  Lab), diverse modeling tools are developed and applied to nanomaterial design. The modeling methods include atomistic and quantum simulations. Structure-property relationships of nanomaterials (nanoparticles, nanowires, and nanoscale interfaces) are the main focus of modeling research. Research topics include metal nanoparticles, carbon nanotubes, semiconductor nanowires, and high-k gate stack interface problems. Main applications areas are electronic device materials, biotechnology, and clean energy technology. He has published more than 120 journal articles and 30 conference papers. He has five US patents awarded. His doctoral research work at MIT was highlighted as "Simulating Reality" in the White House Report on National Science Policy (Aug. 1994). His research work on nanomaterial modeling was highlighted as "Nanomaterials for Clean Energy," in President's Council of Advisors On Science And Technology Report (May 16, 2005).  He has developed a nanomaterial design software tool, MSL simulator, which illustrates the nanomaterial design concepts. The MSL simulator has been released in 2005 for the use of research community at the nanoHUB ( and has been widely used by nanomaterial research community (1330 users and 5000 runs). Based on the nanomaterial modeling software tools and methods, he has founded two start-up companies, Junius Tech. (2002) and Nanostellar Inc. (2003), and he is currently serving as a scientific advisor of Nanostellar Inc. The multiscale modeling framework developed in his research group is applied to a rational design of Pt group metal nanocatalysts in Nanostellar Inc.

Selected Publications

  • K. Cho and J. D. Joannopoulos, "Tip-Surface Interactions in Scanning Tunneling Microscopy," Phys. Rev. Lett. 71, 1387-1390 (1993).
  • K. Cho, E. Kaxiras, and J.D. Joannopoulos, "Theory of adsorption and desorption of H2 molecules on the Si(111)-(7x7) surface," Phys. Rev. Lett. 79, 5078-5081 (1997).
  • S. Peng and K.Cho, "Ab Initio Study of Doped Carbon Nanotube Sensors," Nano Lett. 3, 513-517 (2003).
  • B. Shan and K. Cho, "First Principles Study of Work Functions of Single Wall Carbon Nanotubes," Phys. Rev. Lett. 94, 236602 (2005).
  • S. Park, L. Colombo, Y. Nishi, and K. Cho, "Ab initio Study of Metal Gate Electrode Work Function," Appl. Phys. Lett. 86, 073118 (2005).
  • K. Xiong, W. Wang, H. N. Alshareef, R. P. Gupta, J. B. White, B. E. Gnade and K. Cho, "Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces" Journal of Physics D: Applied Physics 43, 115303 (2010).
  • W. Wang, G. Lee, M. Huang, R.M. Wallace, K. Cho, "First-Principles study of GaAs (001)-β2(2x4) surface oxidation and passivation with H, Cl, S, F, and GaO," J. Appl. Phys. 107, 103720 (2010).
  • M. Acik, G. Lee, C. Mattevi, M. Chhowalla, K. Cho and Y. J. Chabal "Unusual infrared-absorption mechanism in thermally reduced graphene oxide," Nature Mat. 9, 840-845 (2010).