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May 6, 2011 Kyeongjae (KJ) Cho

Erik Jonsson School of Engineering and Computer Science Department of Materials Science and Engineering

Educational History: B.Sc., Feb. 1986, Seoul National University, Seoul, Korea, Physics M.Sc., Feb. 1988, Seoul National University, Seoul, Korea, Physics M.Sc. Thesis entitled “Studies on the Interference Effect between XPS and Auger Process,” supervised by Prof. S.-J. Oh Ph.D., May 1994, Massachusetts Institute of Technology, MA, USA, Physics Ph.D. Thesis entitled “New Methods for Calculation of Dynamical Properties of Many-Particle Systems,” supervised by Prof. J. D. Joannopoulos Employment History – principal positions since the Bachelor’s degree: Teaching Assistant, Mar. 1986 – Jun. 1988, Department of Physics, Seoul National University, Seoul, Korea Research Assistant, Jan. 1990 – May 1994, Department of Physics, Massachusetts Institute of Technology, MA, USA Postdoctoral Associate, Jun. 1994 – May 1995, Department of Physics, M.I.T., MA, USA Research Associate, Jun. 1995 – May 1996, Division of Engineering and Applied Sciences, Harvard University, MA, USA (joint position with MIT) Research Scientist, Jun. 1995 – Aug. 1997, Research Laboratory of Electronics, M.I.T., MA, USA Assistant Professor, Sep. 1997 – Aug. 2006, Department of Mechanical Engineering, Stanford University, Stanford, CA, USA Assistant Professor by Courtesy, Sep. 1999 – Aug. 2004, Department of Materials Science and Engineering, Stanford University, Stanford, CA, USA Associate Professor (tenured), Sep. 2006 – Present, Department of Materials Science and Engineering and Department of Physics, University of Texas at Dallas, Richardson, TX, USA Employment History – concurrent temporary or visiting appointments, consultantships: Scientific Advisor, 2000 – 2003, Profit Logic Inc., Boston, MA, USA

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Founder and Scientific Advisor, 2002 – 2003, Junius Tech, Mountain View, CA, USA Founder and Scientific Advisor, 2003 – Present, Nanostellar Inc., Redwood City, CA, USA Visiting Scholar, 2007 – 2009, Korea Institute of Advanced Science, Seoul, Korea Visiting Professor, 2009 – present, Seoul National University, Seoul, Korea Professional recognitions and honors: Sammi Industrial Fellowship, 1985-1986, Seoul National University, Seoul, Korea Moojin Science Foundation Fellowship, 1988, Moojin Science Foundation, Korea Korean Government Overseas Study Fellowship, 1988-1990, Ministry of Education, Korea MIT Industry Liaison Fellowship, 1988, M.I.T., MA, USA Korean Government Overseas Graduate Student Award, 1991, Ministry of Education, Korea Korean Government Overseas Graduate Student Award, 1992, Ministry of Education, Korea “Simulating Reality” from PhD research work cited by White House Report on National Science Policy, Aug. 1994, Office of Science and Technology Policy, USA http://clinton1.nara.gov/White_House/EOP/OSTP/Science/html/Sitni_Home.html Outstanding Young Researcher Awards, 1996, The Association of Korean Physicists in America Frederich E. Terman Junior Faculty Fellowship, 1997-2000, Packard Foundation Outstanding Technical Authors Award, 2000, Veridian Fellow of the Institute of Physics, Elected in 2002, Institute of Physics “Nanomaterials for Clean Energy,” cited in President's Council of Advisors on Science and Technology Report, May 16, 2005, President’s Council of Advisors on Science and Technology, USA http://www.nano.gov/FINAL_PCAST_NANO_REPORT.pdf Professional memberships: American Physical Society, 1994 – current Material Research Society, 1994 – current IEEE, 1997 – 2007

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ASME, 1997 – 2006 Electrochemical Society, 2008 – current Achievements in original investigation: · 129 Journal Papers: 122 published, 7 accepted · 32 Conference Proceeding Papers · Citation Numbers (Feb. 2011): SCI = 5,626, SCOPUS = 6,177 · SCI h-index = 31, SCOPUS h-index = 32 · 5 United States Patents awarded (2 patents in preparation) · Names indicated in boldface for Graduate students, and in italic for post-doctoral associates 122 Articles in refereed journals: 1. Cho, K. and S.-J. Oh. 1989. “M4,5N4,5X Auger lineshapes of La compounds from one-step

model calculations.” Physical Review B 39: 9576-9.

2. Cho, K. and J. D. Joannopoulos. 1992. “Ergodicity and dynamical properties of constant- temperature molecular dynamics.” Physical Review A 45: 7089-97.

3. Cho, K., J. D. Joannopoulos, and Leonard Kleinman. 1993. “Constant-Temperature molecular dynamics with momentum conservation,” Physical Review E 47: 3145-51.

4. Cho, K. and J. D. Joannopoulos. 1993. “Tip-Surface Interactions in Scanning Tunneling Microscopy.” Physical Review Letters 71: 1387-90.

5. Cho, K., T. A. Arias, J. D. Joannopoulos, and P. K. Lam. 1993. “Wavelets in Electronic Structure Calculations.” Physical Review Letters 71: 1808-11.

6. Devenyi, A., K. Cho, T. A. Arias, and J. D. Joannopoulos. 1994. “Adaptive Riemannian metric for all-electron calculations.” Physical Review B 49: 13373-6.

7. Capaz, R., K. Cho, and J. D. Joannopoulos. 1995. “Signatures of Bulk and Surface Arsenic Antisite Defects in GaAs(110).” Physical Review Letters 75: 1811-4.

8. Lim, H., K. Cho, I. Park, J. D. Joannopoulos, and E. Kaxiras. 1995. “Ab initio study of hydrogen adsorption on the Si(111)-(7x7) surface,” Physical Review B 52: 17231-7.

9. Cho, K., and J. D. Joannopoulos. 1995. “Tip-induced Modifications in Scanning Tunneling Microscopy and Atomic Force Microscopy.” Scanning Microscopy 9: 381-6.

10. Cho, K., and J. D. Joannopoulos. 1995. “Mechanical hysteresis on an atomic scale.” Surface Science 328: 320-4.

11. Cho, K., and J. D. Joannopoulos. 1996. “Flipping silicon dimers on Si(100) using scanning tip microscopy: a theoretical investigation.” Physical Review B 53: 4553-6.

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12. Cho, K., and J. D. Joannopoulos. 1996. “Reversible Tip-induced Structural Modifications in Scanning Tip Microscopy.” Japanese Journal of Applied Physics 35: 3714-8.

13. Cho, K., J. D. Joannopoulos, and A. N. Berker. 1996. “Vicinal Si(100) surfaces under External Strain.” Physical Review B 53: 1002-5.

14. Lim, H., K. Cho, R. B. Capaz, J. D. Joannopoulos, K. D. Brommer, and B. E. Larson. 1996. “Ab initio studies of adatom vacancies on the Si(111)-(7x7) surface.” Physical Review B 53: 15421-4.

15. Lee, S., S. J. Lee, J. Y. Lee, J. Kim, K. S. Kim, I. Park, K. Cho, J. D. Joannopoulos. 1996. “Ab initio Study of Water Hexamer Anions.” Chemical Physics Letters 254: 128-34.

16. Kim, K., I. Park, S. Lee, K. Cho, J. Y. Lee, J. Kim, J, D. Joannopoulos. 1996. “The nature of a wet electron.” Physical Review Letters 76: 956-9.

17. Tepesch, P., A. F. Kohan, G. D. Garbulsky, G. Ceder, C. Coley, H. T. Stokes, L. L. Boyer, M. J. Mehl, B. P. Burton, K. Cho, and J. D. Joannopoulos. 1996. “A Model to compute Phase Diagrams in Oxides with Empirical or First-principles Energy Methods and Application to the Solubility Limits in the CaO-MgO system.” Journal of the American Ceramic Society 79: 2033-40.

18. Cho, K., and J.D. Joannopoulos. 1996. “Intrinsic surface atom manipulations in STM and AFM.” Applied Surface Science 104: 286-90.

19. Aydinol, M., A. F. Kohan, G. Ceder, K. Cho and J. D. Joannopoulos. 1997. “Ab initio Study of Lithium Intercalation in Metal-Dichalcogenides.” Physical Review B 56: 1354-65.

20. Woo, J., R. C. Forrey, and K. Cho. 1997. “Astrophysical extended X-ray absorption fine-structure analysis.” Astrophysical Journal 477: 235-40.

21. Cho, K., E. Kaxiras, and J.D. Joannopoulos. 1997. “Theory of adsorption and desorption of H2 molecules on the Si(111)-(7x7) surface.” Physical Review Letters 79: 5078-81.

22. Cho, K. and E. Kaxiras. 1997. “Intermittent Diffusion on the reconstructed Si(111) Surface,” Europhysics Letters 39: 287-92.

23. Cho, K., and E. Kaxiras. 1998. “Diffusion of adsorbate atoms on the reconstructed Si(111) surface.” Surface Science 396: L261-6.

24. Forrey, R., J. W. Woo and K. Cho. 1998. “Model for astrophysical X-ray Absorption Fine Structure.” Astrophysical Journal 505: 236-43.

25. Ireta, J., M. Galvan, K. Cho and J. D. Joannopoulos. 1998. “Local Reactivity of Charybdotoxin, a K+ Channel Blocker.” Journal of the American Chemical Society 128: 9771-8.

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26. Capaz, R., L.V.C. Assali, L.C. Kimerling, K. Cho, and J.D. Joannopoulos. 1999. “Mechanism for Hydrogen-Enhanced Oxygen Diffusion in Silicon.” Physical Review B 59: 4898-900.

27. Wang, T., N. Moll, K. Cho, and J.D. Joannopoulos. 1999. “Deliberately Designed Materials for Optoelectronics Applications.” Physical Review Letters 82: 3304-7.

28. Mirbt, S., N. Moll, K. Cho, and J.D. Joannopoulos. 1999. “Cation-Rich (100) Surface Reconstructions of InP and GaP.” Physical Review B 60: 13283-6.

29. Srivastava, D., M. Menon, and K. Cho. 1999. “Nanoplasticity of Single-Wall Carbon Nanotubes under Uniaxial Compression.” Physical Review Letters 83: 2973-6.

30. Han, S., K. Cho, and J. Ihm. 1999. “Ab initio study on the molecular recognition by metalloporphyrins: CO interaction with iron porphyrin.” Physical Review E 59: 2218-21.

31. Han, S., K. Cho, and J. Ihm. 1999. “Wavelets in All-Electron Density Functional Calculations.” Physical Review B 60: 1437-40.

32. Wang, T., N. Moll, K. Cho, and J.D. Joannopoulos. 1999. “Deliberately designed interfaces for monolithic integration in optoelectronics.” Journal of Vacuum Science & Technology B 17 (4): 1612-6.

33. Moll, N., T. Wang, K. Cho and J.D. Joannopoulos. 1999. “Semiconductor alloys for monolithic integration with Si microelectronics.” Materials Science & Engineering B – Solid State Materials for Advanced Technology 67 (1-2): 17-22.

34. Capaz, R., L. Assali, L. Kimerling, K. Cho, and J.D. Joannopoulos. 1999. “Ab initio studies of hydrogen-enhanced oxygen diffusion in silicon,” Brazilian Journal of Physics 29 (4): 611-5.

35. Kawamoto, A., J. Jameson, K. Cho, and R. Dutton. 2000. “Challenges for Atomic Scale Modeling in Alternative Gate Stack Engineering.” IEEE Transactions on Electron Devices 47: 1787-94.

36. Peng, S., and K. Cho. 2000. “Chemical Control of Nanotube Electronics.” Nanotechnology 11: 57-60.

37. Kong, J., N. Franklin, C. Zhou, M.G. Chapline, S. Peng, K. Cho, H. Dai. 2000. “Nanotube Molecular Wires As Chemical Sensors.” Science 287: 622-5.

38. Wang, T., N. Moll, K. Cho, and J. D. Joannopoulos. 2001. “Computational design of compounds for monolithic integration in optoelectronics.” Physical Review B 63: 035306.

39. Srivastava, D., M. Menon, and K. Cho. 2001. “Anisotropic Nanomechanics of Boron Nitride Nanotubes: Nanostructured Skin Effect." Physical Review B 63: 195413.

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40. Park, I., K. Cho, S. Lee, K.S. Kim, and J.D. Joannopoulos. 2001. “Ab initio – Atomistic Dynamical Study of an Excess Electron in Water.” Computational Materials Science 21: 291-300.

41. Srivastava, D., M. Menon, and K. Cho. 2001. “Computational Nanotechnology with Carbon Nanotubes and Fullerenes.” Computing in Science & Engineering 3: 42-5.

42. Kawamoto, A., J. Jameson, P. Griffin, K. Cho, and R. Dutton. 2001. “Atomic scale effects of Hf and Zr incorporation at a model silicon/silicate interface by first principles calculations.” IEEE Electron Device Letters 22: 14-6.

43. Kawamoto, A., K. Cho, and R. Dutton. 2001. “First Principles Modeling of High-K Gate Dielectics.” Journal of Computer-Aided Materials Design 8 (1): 39-57.

44. Kawamoto, A., K. Cho, P. Griffin, and R. Dutton. 2001. “First Principles Investigation of Scaling Trends of Zirconium Silicate Interface Band Offsets.” Journal of Applied Physics 90: 1333-41.

45. Park, S., D. Srivastava, and K. Cho. 2001. “Local reactivity of fullerenes and nano device applications.” Nanotechnology 12: 245-9.

46. Park, S., D. Srivastava, and K. Cho. 2001. “Endo-fullerene and Doped Diamond Nanocrystallite-based Models of Qubits for Solid-State Quantum Computers.” Journal of Nanoscience and Nanotechnology 1: 75-81.

47. Peng, S., and K. Cho. 2002. “Nano Electro Mechanics of Semiconducting Carbon Nanotube.” Journal of Applied Mechanics 69 (4): 451-3.

48. Haverty, M., A. Kawamoto, K. Cho, and R. Dutton. 2002. “First Principles Study of Transition-Metal Aluminate as High-k Gate Dielectrics.” Applied Physics Letters 80: 2669.

49. Cho, K. 2002. “First Principles Modeling of High-K Gate Dielectric Materials.” Computational Materials Science 23 (1-4): 43-47.

50. O’Keeffe, J., C. Wei, and K. Cho. 2002. “Band-structure modulation for carbon nanotubes in a uniform electric field.” Applied Physics Letters 80: 676-8.

51. Wei, C., D. Srivastava, and K. Cho. 2002. “Molecular dynamics study of temperature dependent plastic collapse of carbon nanotubes under axial compression.” Computational Modeling in Engineering & Science 3: 255-61.

52. Wei, C., D. Srivastava, and K. Cho. 2002. “Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites.” Nano Letters 2(6): 647-50.

53. Ghoniem N. and K. Cho. 2002. “The Emerging Role of Multiscale Modeling in Nano- and Micro-mechanics of Materials.” Computational Modeling in Engineering & Science 3: 147-73.

54. Zeng, H, R. Sabirbianov, O. Mryasov, M.L. Yan, K. Cho, and D.J. Sellmyer. 2002. “Curie Temperature of FePt: B2O3 Nanocomposite Films.” Physical Review B 66: 184425.

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55. Srivastava, D., C. Wei, and K. Cho. 2003. “Nanomechanics of Carbon Nanotubes and

Composites.” Applied Mechanics Reviews 56: 215-30.

56. Qi, P., O. Vermesh, M. Grecu, A. Javey, Q. Wang, H. Dai, S. Peng, K. Cho. 2003. “Toward Large Arrays of Multiplex Functionalized Carbon Nanotube Sensors for Highly Sensitive and Selective Molecular Detection.” Nano Letters 3: 347-51.

57. Larsson, M., R.F. Sabiryanov, K. Cho, and B.M. Clemens. 2003. “Nanopatterning of periodically strained surfaces: Predictive kinetic Monte Carlo simulation study,” Journal of Applied Physics 94: 3470-84.

58. Ramanarayanan, P., K. Cho, and B.M. Clemens. 2003. “Effect of composition on vacancy mediated diffusion in random binary alloys: First principles study of the Si1-xGex system.” Journal of Applied Physics 94: 174-85.

59. Nojeh, A., G.W. Lakatos, S. Peng, K. Cho, and R.F.W. Pease. 2003. “A Carbon Nanotube

Cross Structure as a Nanoscale Quantum Device.” Nano Letters 3: 1187-90.

60. Park, S., D. Srivastava, and K. Cho. 2003. “Generalized Chemical Reactivity of Curved Surfaces: Carbon Nanotubes.” Nano Letters 3: 1273-7.

61. Wei, C., K. Cho, and D. Srivastava. 2003. “Tensile yielding of multiwall carbon nanotubes.”

Applied Physics Letters 82: 2512-4.

62. Larsson, M., R.F. Sabiryanov, K. Cho, and B.M. Clemens. 2003. “Surface strain effects on adatom kinetics and self-assembly.” Surface Science 536: L389-95.

63. Peng, P., and K.Cho. 2003. “Ab Initio Study of Doped Carbon Nanotube Sensors.” Nano

Letters 3: 513-7.

64. Sabiryanov, R., M. I. Larsson, K. Cho, W. D. Nix, and B. M. Clemens. 2003. “Surface diffusion and growth of patterned nanostructures on strained surfaces.” Physical Review B 67: 125412.

65. Wei, C., K. Cho, and D. Srivastava. 2003. “Tensile strength of carbon nanotubes under

realistic temperature and strain rate.” Physical Review B 67: 115407.

66. Liu, Z., H. Gao, L.Q. Chen, K. Cho. 2003. “Patterned nanostructure in AgCo/Pt/MgO(001) thin films.” Physical Review B 68: 035429.

67. Sabiryanov, R, K Cho, MI Larsson, WD Nix, BM Clemens. 2003. “Growth and properties of

small Co islands on a strained Pt surface.” Journal of Magnetism and Magnetic Materials 258: 365-8.

68. Miller, J., K. Cho, and M. McGehee. 2004. “A realistic Assessment of the

Commercialization of Nanotechnology: A Primer for Lawyers and Investors.” Nanotechnology Law & Business 1: 1 (2004).

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69. Peng. S., K. Cho, P. Qi, and H. Dai. 2004. “Ab initio Study of CNT NO2 gas sensor.” Chemical Physics Letters 387: 271-6.

70. Larsson, M., K. Cho, and B. Clemens. 2004. “Surface diffusion mechanisms for strain-

induced self-assembly.” Physical Review B 69: 155426.

71. Rignanese, G., X. Gonze, G. Jun, K. Cho, A. Pasquarello. 2004. “First-principles investigation of high-k dielectrics: Compariosn between the silicates and oxides of hafnium and zirconium.” Physical Review B 69: 184301.

72. Ramanarayanan, P., B. Srinivasan, K. Cho, and B.M. Clemens. 2004. “Migration energy

for impurity diffusion in solids: A closer look.” Journal of Applied Physics 96: 7095-107.

73. Shan, B. and K. Cho. 2004. “Ab initio study of Schottky Barriers at Metal-Nanotube Contacts.” Physical Review B 70: 233405.

74. Liu, H, and K. Cho. 2004. “A molecular dynamics study of round and flattened carbon

nanotube structures.” Applied Physics Letters 85: 807.

75. Wei, C., D. Srivastava, K. Cho. 2004. “Structural ordering in nanotube polymer composites.” Nano Letters 4: 1949-52.

76. Park, S., L. Colombo, Y. Nishi, and K. Cho. 2005. “Ab initio Study of Metal Gate Electrode

Work Function.” Applied Physics Letters 86: 073118.

77. Shan, B., and K. Cho. 2005. “First Principles Study of Work Functions of Single Wall Carbon Nanotubes.” Physical Review Letters 94: 236602.

78. Shan, B., G. Lakatos, S. Peng and K. Cho. 2005. “First Principles Study of band-gap

change in deformed nanotubes.” Applied Physics Letters 87: 173109.

79. Li, Y., S. Peng, D. Mann, J. Cao, R. Tu, K. Cho, and H. Dai. 2005. “On the origin of preferential growth of semiconducting single-walled carbon nanotubes.” Journal of Physical Chemistry B 109: 6968-71.

80. Nikitin, A., H. Ogasawara, D. Mann, R. Denecke, Z. Zhang, H. Dai, K. Cho, A. Nilsson.

2005. “Hydrogenation of single-walled carbon nanotubes.” Physical Review Letters 95: 225507.

81. Nojeh, A., B. Shan, K. Cho, and R. F.W. Pease. 2006. “Ab Initio Modeling of the

Interaction of Electron Beams and Single-Walled Carbon Nanotubes.” Physical Review Letters 96: 056802.

82. Shan, B., and K. Cho. 2006. “First Principles Study of Work Functions of Double Wall

Carbon Nanotubes.” Physical Review B 73: 081401(R).

83. Lee, B., and K. Cho. 2006. “Extended embedded-atom method for platinum nanoparticles.” Surface Science 600: 1982-90.

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84. Leu, P., B. Shan, and K. Cho. 2006. “Surface chemical control of the electronic structure of silicon nanowires: Density functional calculations.” Physical Review B 73: 195320.

85. Black-Schaffer, A., and K. Cho. 2006. “First-principles study of the work function of

nitrogen doped molybdenum (110) surface.” Journal of Applied Physics 100: 124902 (2006)

86. Gong, H., and K. Cho. 2007. “Electronic structure and work function of metal gate Mo–W system.” Applied Physics Letters 91: 092106.

87. Zhang, Z., and K. Cho. 2007. “Ab Initio Study of Hydrogen Interaction with Pure and

Nitrogen Doped Carbon Nanotubes.” Physical Review B 75: 075420.

88. Ha, J., P.C. McIntyre, and K. Cho. 2007. “First Principles Study of the HfO2/SiO2 Interface: Application to High-K Gate Structures.” Journal of Applied Physics 101: 033706.

89. Gong, H., Y. Nishi, and K. Cho. 2007. “Effects of strain and interface on work function of a

Nb-W metal gate system.” Applied Physics Letters 91: 242105.

90. Svizhenko, A., P. Leu, and K. Cho. 2007. “Effect of growth orientation and surface roughness on electron transport in silicon nanowires.” Physical Review B 75: 125417.

91. Ha, J., K. Seo, P.C. McIntyre, K.C. Saraswat, and K. Cho. 2007. “Fluorine incorporation at

HfO2/SiO2 interfaces in high-k metal-oxide-semiconductor gate stacks: local electronic structure.” Applied Physics Letters 90: 112911.

92. Gong, H., Y. Nishi, and K. Cho. 2008. “Electronic structures of Nb–W bulk and surface

from first principles calculation.” Journal of Applied Physics 103: 043702.

93. Lee, B., S.-Y. Park, H.-C. Kim, K. Cho, E.M. Vogel, M.J. Kim, R.M. Wallace, and J. Kim. 2008. “Conformal Al2O3 dielectric layer deposited by atomic layer deposition for graphene-based nanoelectronics.” Applied Physics Letters 92: 203102.

94. Leu, P., A. Svizhenko, and K. Cho. 2008. “Ab initio calculations of the mechanical and

electronic properties of strained Si nanowires.” Physical Review B 77: 235305.

95. Gong, H., and K. Cho. 2008. “Electronic structure and related properties of Mo-W: a density functional study.” Journal of Physics – Condensed Matter 20 (25): 255208.

96. Magyari-Kope, B., S. Park, L. Colombo, Y, Nishi, and K. Cho. 2009. “Ab initio study of Al–

Ni bilayers on SiO2: Implications to effective work function modulation in gate stacks.” Journal of Applied Physics 105: 013771.

97. Shan, B., N. Kapur, J. Hyun, L. Wang, J. Nicholas, K. Cho. 2009. “CO-Coverage-

Dependent Oxygen Dissociation on Pt(111) Surface.” Journal of Physical Chemistry C 113: 710-5.

98. Gong, H., and K. Cho. 2009. “First principles study of Nb–W bilayer metal gate electrode.”

Microelectronic Engineering 86: 240-3.

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99. Shan, B., Y. Zhao, J. Hyun, N. Kapur, J. Nicholas, and K. Cho. 2009. “Coverage Dependent CO Adsorption Energy from First-Principles Calculations.” Journal of Physical Chemistry C 113: 6088-92.

100. Xiao, W., M. I. Baskes, and K. Cho. 2009. “MEAM study of carbon atom interaction

with Ni nanoparticle.” Surface Science 603: 1985-98.

101. Huang, M., and K. Cho. 2009. “Density Functional Theory Study of CO Hydrogenation on a MoS2 Surface.” Journal of Physical Chemistry C 113: 5238-43.

102. Lee, G., and K. Cho. 2009. “Electronic structures of zigzag graphene nanoribbons with

edge hydrogenation and oxidation.” Physical Review B 79: 165440.

103. Lee, G., B. Lee, J. Kim, and K. Cho. 2009. “Ozone Adsorption on Graphene: Ab Initio Study and Experimental Validation.” Journal of Physical Chemistry C 113: 14225-29.

104. Shan, B., L. Wang, S. Yang, J. Hyun, N. Kapur, Y. Zhao, J. Nicholas, and K. Cho. 2009.

“First-principles-based embedded atom method for PdAu nanoparticles.” Physical Review B 80: 035404.

105. Hao, X., B. Shan, J. Hyun, N. Kapur, K. Fujdala, T. Truex, and K. Cho. 2009.

“Experimental and Theoretical Study of CO Oxidation on PdAu Catalysts with NO Pulse Effects.” Topics in Catalysis 52: 1946-50.

106. Gupta, R., O.D. Iyore, K. Xiong, J.B. White, K. Cho, H.N. Alshareef, and B.E. Gnade.

2009. “Interface Characterization of Cobalt Contacts on Bismuth Selenium Telluride for Thermoelectric Devices.” Electrochemical Solid State Letters 12: H395-7.

107. Fonseca, A., T. Borders, R.H. Baughman, and K. Cho. 2010. “Load transfer between

cross-linked walls of a carbon nanotube.” Physical Review B 81: 045429.

108. Xiong, K., W. Wang, H. N. Alshareef, R. P. Gupta, J. B. White, B. E. Gnade and K. Cho. 2010. “Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces.” Journal of Physics D: Applied Physics 43: 115303.

109. Shan, B., and K. Cho. 2010. “Oxygen dissociation on nitrogen-doped single wall

nanotube: A first-principles study.” Chemical Physics Letters 492: 131-6.

110. Gupta, R., K. Xiong, J. B. White, K. Cho, H. N. Alshareef, and B. E. Gnade. 2010. “Low Resistance Ohmic Contacts to Bi2Te3 Using Ni and Co Metallization.” Journal of the Electrochemical Society 157: H666-70.

111. Kapur, N., J. Hyun, B. Shan, J.B. Nicholas, and K. Cho. 2010. “Ab Initio Study of CO

Hydrogenation to Oxygenates on Reduced Rh Terraces and Stepped Surfaces.” Journal of Physical Chemistry C 114: 10171–82.

112. Wang, W., K. Xiong, G. Lee, M. Huang, R.M. Wallace, and K. Cho. 2010. “Origin of HfO2/GaAs interface states and interface passivation: A first principles study.” Applied Surface Science 256: 6569-73.

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113. Wang, W., G. Lee, M. Huang, R.M. Wallace, K. Cho. 2010. “First-Principles study of

GaAs (001)-β2(2x4) surface oxidation and passivation with H, Cl, S, F, and GaO.” Journal of Applied Physics 107: 103720.

114. Lee, B., G. Mordi, M.J. Kim, Y.J. Chabal, E.M. Vogel, R.M. Wallace, K. Cho, L.

Colombo, J. Kim. 2010. “Characteristics of high-k Al2O3 dielectric using ozone-based atomic layer deposition for dual-gated graphene devices.” Applied Physics Letters 97: 043107.

115. Zhang, H., G. Lee, A. Fonseca, T. Borders and K. Cho. 2010. “Isotope Effect on the

Thermal Conductivity of Graphene.” Journal of Nanomaterials 537657 (2010).

116. Bhatt, M., M. Cho and K. Cho. 2010. “Interaction of Li+ ions with ethylene carbonate (EC): Density functional theory calculations.” Applied Surface Science 257: 1463-8.

117. Acik, M., G. Lee, C. Mattevi, M. Chhowalla, K. Cho and Y. J. Chabal. 2010. “Unusual

infrared-absorption mechanism in thermally reduced graphene oxide.” Nature Materials 9: 840-5.

118. Xiong, K., G. Lee, R.P. Gupta, W. Wang, B.E. Gnade and K. Cho. 2010. “Behavior of

group IIIA impurities in PbTe: implications to improve thermoelectric efficiency.” Journal of Physics D: Applied Physics 43: 405403.

119. Acik, M., C. Mattevi, C. Gong, G. Lee, K. Cho, M. Chhowalla, Y. Chabal. 2010. “The

role of intercalated water in multilayered graphene oxide.” ACS Nano 4: 5861-8.

120. Gong, C., G. Lee, B. Shan, E.M. Vogel, R.M. Wallace, and K. Cho. 2010. “First-principles study of metal-graphene interfaces.” Journal of Applied Physics 108: 123711.

121. Wang, W., K. Xiong, R.M. Wallace, and K. Cho. 2010. “Impact of Interfacial Oxygen

Content on Bonding, Stability, Band Offsets and Interface States of GaAs:HfO2 Interfaces.” Journal of Physical Chemistry C 114: 22610-8.

122. Wang, W., K. Xiong, C. Gong, R.M. Wallace, and K. Cho. 2011. “Si Passivation

Effects on Atomic Bonding and Electronic Properties at HfO2/GaAs interface: A first-principles study.” Journal of Applied Physics 109: 063704.

32 Articles appearing as chapters in edited volumes (conference proceedings): 1. Cho, K., and J. D. Joannopoulos. 1995. “The Devilish World of Surfaces.” in Toward

Teraflop Computing and New Grand Challenge Applications, Eds. R. K. Kalia and R. Vashishta, Nova Science Publishers, 3-12.

2. Arias, T., K. Cho, J. D. Joannopoulos, P. K. Lam, and M. P. Teter. 1995. “Wavelet- Transform Representation of the Electronic Structure of Materials.” in Toward Teraflop Computing and New Grand Challenge Applications, Eds. R. K. Kalia and R. Vashishta, Nova Science Publishers, 25-36.

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3. Cho, K., and E. Kaxiras. 1999. “First-Principles Study of Si(111) Homoepitaxy,” MRS 98

Fall Meeting Proceedings 538, 341-345. 4. Kawamoto, A., J. Jameson, K. Cho, and R. Dutton. 2000. “First Principles Investigation of

Bulk Zirconium/Hafnium Silicate Materials for Alternative Gate Dielectric Applications.” SRC 2000 Techcon Conference Proceedings.

5. O’Keeffe, J., N. Mingo, M.P. Anantram, and K. Cho. 2000. “Band Structure Simulation of a Metal-Nanotube Junction.” SRC 2000 Techcon Conference Proceedings (2000).

6. Haverty, M., A. Kawamoto, G. Jun, K. Cho, and R. Dutton. 2001. “Preliminary First-Principles Study of Hf and Zr Aluminates as Replacement High-k Dielectrics.” MRS 2001 Conference Proceeding.

7. Park, S., D. Srivastava, and K. Cho. 2001. “External Chemical Reactivity of Fullerenes and

Nanotubes.” MRS 2001 Conference Proceeding Vol. 675, W1.5.

8. Park, S., D. Srivastava, and K. Cho. 2001. “Endo-Fullerenes and Doped Bucky Onions as Seed Materials for Solid State Quantum Computers.” MRS Symposium Proceedings Vol. 675, W1.8.

9. Peng, S., and K. Cho. 2001. “Ab initio Study of Metal Atoms on SWNT Surface,” MRS

2001 Conference Proceeding Vo. 675, W4.8.

10. Wei, C., K. Cho, and D. Srivastava. 2001. “Chemical Bonding of Polymer on Carbon Nanotube,” MRS 2001 Conference Proceeding Vol. 675, W4.7.

11. Wei, C., K. Cho, and D. Srivastava. 2001. “Temperature and Strain-rate dependent Plastic

Deformation of Carbon Nanotube,” MRS 2001 Conference Proceeding Vol. 677, AA6.5.

12. Peng, S., J. O'Keeffe, C. Wei, K. Cho, J. Kong, R. Chen, N. Franklin, H. Dai. 2001. “Carbon Nanotube Chemical and Mechanical Sensors.” International Workshop on Structural Health Monitoring, 1142.

13. Jun, G., and K. Cho. 2002. “First Principles Modeling Of High-K Dielectric Materials.” MRS 2002 Fall Meeting Conference Proceeding 745, 273-281.

14. Cho, K., G. Jun, I. Choi, M. Haverty, A. Kawamoto, and R. Dutton. 2002. “First Principles

Modeling of High-k Gate Dielectrics.” International Workshop on Device Technology, MRS Workshop Series.

15. Cho, K., G. Jun, I. Choi, and R. Dutton. 2002. “First Principles Study of High-k Dielectric-Silicon Interfaces.” Proceedings of Third International Conference on Microelectronics and Interfaces, p.123.

16. Larsson, M., B. Lee, R. Sabirynov, K. Cho, W. Nix, and B.M. Clemens. 2002. “Kinetic Monte Carlo Simulations of Strain-induced Nanopatterning on Hexagonal Surfaces.” MRS 2002 Spring Meeting Conference Proceeding 731, 269-274.

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17. Lee, B., and K. Cho. 2003. “Atomistic Simulation Study of Controlled Nanostructure Patterning.” Material Research Society Proceedings 775, 287-292.

18. Larsson, M., R. F. Sabiryanov, K. Cho, and B. M. Clemens. 2003. “Nanopatterning of

periodically strained surfaces - A kinetic monte carlo simulation study.” 2003 Nanotechnology Conference and Trade Show - Nanotech 2003 3, 239-242.

19. Larsson, M., R. F. Sabiryanov, K. Cho, and B. M. Clemens. 2003. “Diffusion mechanism

for self assembly on inhomogeneously strained surfaces.” Material Research Society Proceedings 775, pp. 331-336.

20. Ramanarayanan, P., RF Sabiryanov, and K Cho. 2004. “Point defect energetics in silicon

using the LDA+U method.” Transactions of the Materials Research Society of Japan 29 (8), p3625-3630.

21. Xue, J., G. Lee, K. Cho. 2008. “The effect of metal impurities on the electronic structure of pentacene.” SRC 2008 TECHCON Conference Proceedings.

22. Shan, B., J. Hyun, N. Kapur, and K. Cho. 2009. “First-principles study of PdAu segregation with CO coverage.” Materials Research Society Symposium Proceedings 1177, pp. 7-12.

23. Xiong, K., W. Wang, H. N. Alshareef, R. P. Gupta, J. B. White, B. E. Gnade and K. Cho. 2009. “First principles study of metal/Bi2Te3 interfaces: implications to reduce contact resistance.” Materials Research Society Symposium Proceedings, 1166, 103-108.

24. Wang, W., K. Xiong, G. Lee, M. Huang, R.M. Wallace, and K. Cho. 2009. “First principles

study of HfO2:GaAs interface passivation by Si and Ge.” Materials Research Society Symposium Proceedings Vol. 1155, 143-149.

25. Choi, H., M. Huang, J.B. Ballard, K.T. He, S.W. Schmucker, J.W. Lyding, J.N. Randall,

and K. Cho. “Theoretical and experimental study of tip electronic structures in scanning tunneling microscope.” Materials Research Society Symposium Proceedings 1177, pp. 19-24.

26. Wang, W., K. Xiong, G. Lee, M. Huang, R.M. Wallace, and K. Cho. 2009. “Impact of

native oxides on GaAs/HfO2 interfaces: A First principles study,” SRC 2009 TECHCON conference proceedings.

27. Lee, G., C. Gong, A. Pirkle, A. Venugopal, B. Lee, S. Park, L. Goux, M. Acik, R. Guzman, Y. Chabal, J. Kim, E.M. Vogel, R.M. Wallace, M.J. Kim, L. Colombo, and K. Cho. 2009. “Materials Science of Graphene for Novel Device Applications.” ECS Transactions v. 19, 185.

28. Xiong, K., R.P. Gupta, J.B. White, B.E. Gnade and K. Cho. 2010. “Impact of dopants on the

PbTe thermoelectric efficiency,” Materials Research Society Symposium Proceedings 1267, 139-145.

29. Kapur, N., C. Sampara, X. Hao, J. Hyun, B. Shan, J.B. Nicholas, B. Davis, and K. Cho.

2010. “Microkinetic study of oxygenate and hydrocarbon formation from syngas on rhodium and cobalt surfaces: Effect of site structure on catalytic cycles,” Nanotechnology 2010: Bio

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Sensors, Instruments, Medical, Environment and Energy - Technical Proceedings of the 2010 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2010 3, pp. 631-634.

30. Gupta, R., K. Xiong, J.B. White, K. Cho, and B.E. Gnade. 2010. “Improvement in contact

resistivity to thin film Bi2Te3,” Materials Research Society Symposium Proceedings 1267, pp. 147-152.

31. Wang, W., K. Xiong, G. Lee, M. Huang, R.M. Wallace and K. Cho. 2010. “Band Offset

Control by Interfacial Oxygen Content at GaAs:HfO2 interfaces.” Materials Research Society Symposium Proceedings.

32. Gong, C., G. Lee, B. Shan, W. Wang, and K. Cho. 2010. “First-Principles and Quantum Transport Studies of Metal-Graphene Contacts,” Materials Research Society Symposium Proceedings (2010).

7 Articles accepted for journal publication: 1. Wang, W., G. Lee, M. Huang, R.M. Wallace, and K. Cho. “First-Principles study of GaAs

(001)-β2(2x4) surface oxidation,” Microelectronic Engineering (in press).

2. Kapur, N., B. Shan, J. Hyun, L. Wang, S. Yang, J. Nicholas and K. Cho. “First Principles Study of CO Oxidation on Bismuth Promoted Pt(111) Surfaces,” Molecular Simulation (in press).

3. Bhatt, M., M. Cho, and K. Cho, “Conduction of Li+ cations in Ethylene Carbonate (EC) and Propylene Carbonate (PC): Comparative Studies using Density Functional Theory.” Journal of Solid State Electrochemistry (in press).

4. Wang, W., C.L. Hinkle, E.M. Vogel, K. Cho, and R.M. Wallace. “Is interfacial chemistry correlated to gap states for high-k/III–V interfaces?” Microelectronic Engineering (in press).

5. Lee, G., Kwang S. Kim, and K. Cho. “Theoretical Study of the Electron Transport in Graphene with Vacancy and Residual Oxygen Defects after High-Temperature Reduction,” Journal of Phyical Chemistry C (in press).

6. Zhao, M., W. Xiao, H. Zhang, and K. Cho, “Graphene - Ni (001) interface study,” Physical Chemistry Chemical Physics (in press).

7. Wang, W., P.-R. Cha, S, Lee, G. Kim, M.J. Kim, and K. Cho, “First Principles Study of Si Etching by CHF3 Plasma Source.” Applied Surface Science (in press).

8 Articles submitted for journal publication: 1. Chen, R., Z.Z. Chen, B. Ma, X. Hao, N. Kapur, J. Hyun, K. Cho, and B. Shan. “CO

Adsorption on Pt(111) and Pd(111) Surfaces: A First-Principles Based Lattice Gas Monte-Carlo Study.” Computational and Theoretical Chemistry (in review).

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2. Xiong, K., W. Wang, R.P. Gupta, B.E. Gnade and K. Cho, “Electronic structures and stability of group VA impurities in lead telluride.” Journal of Physics D: Applied Physics (in review).

3. Wang, W., C. Gong, B. Shan, R.M. Wallace, and K. Cho. “Sulfur Passivation Effect on HfO2/GaAs Interface: A First-Principles Study.” Applied Physics Letters (in review).

4. Zhang, H., G. Lee and K. Cho. “Thermal Transport in Graphene and Effects of Vacancy Defects.” Physical Review B (in review).

5. Fonseca, A., G. Lee, T.L. Borders, H. Zhang, T.W. Kemper, T.-R. Shan, S.B. Sinnott, and K. Cho, “Reparameterization of REBO-CHO for graphene-oxide molecular dynamics simulations.” Physical Review (in review).

6. Xiong, K., L. Lin, J. Robertson, and K. Cho, “Energetics of hydrogen in GeO2, Ge and their interfaces.” Applied Physics Letters (in review).

7. Gong, C., W. Wang, G. Lee, B. Shan, and K. Cho. “Electronic Transport across Metal-Graphene End Contacts.” Physical Review Letters (in review).

8. Yamaguchi, H., K. Murakami, G. Eda, T. Fujita, P. Guan, W. Wang, C. Gong, J. Boisse, S. Miller, Muge Acik, K. Cho, Y.J. Chabal, M. Chen, F. Wakaya, M. Takai and M. Chhowalla, “Field emission from atomically thin edges of reduced graphene oxide.” ACS Nano (in review).

Work in progress: 5 journal articles and 1 book in preparation, 1 book chapter in review 1. Subramanian, R., P. Bhadrachalam, V. Ray, T. Park, J. Kim, K. Cho, and S.J. Koh,

“Overcoming the intrinsic limit of Fermi-Dirac thermal smearing.” Nature (in preparation).

2. Gong, C., L. Colombo, and K. Cho. “Photo-Assisted CVD Growth of Graphene Using Single Metal Atom as Catalyst.” Nano Letters (in preparation).

3. Lee, G., L. Colombo and K. Cho, “Grain Boundary Effect on Electronic and Transport Properties of Graphene.” Nano Letters (in preparation).

4. Veyan, J., H.S. Choi, M. Huang, J. Ballard, S. McDonnell, M.P. Nadesalingam, H. Dong, I. S. Chopra, W. P. Kirk, J.N. Randall, R.M. Wallace, K. Cho and Y.J. Chabal. “Si2H6 dissociative chemisorption mechanism on Si(100) and Ge(100).” Journal of the American Chemical Society (in preparation).

5. Wang, W., K. Xiong, R.M. Wallace and K. Cho, “First-Principles Study of Initial Growth of GaΧO Layer on GaAs-β2(2×4) Surface and Interface Passivation by F.” Journal of Applied Physics (in preparation).

6. Cho, K. “Multiscale Design of Nanomaterials.” CRC Press (in preparation).

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7. Weichao Wang, Ka, Xiong, Robert M. Wallace, and Kyeongjae Cho, “Theoretical progress on GaAs surface and GaAs/high-κ interface,” Book chapter (in review).

Other writings: 5 US patents awarded, 2 US patents application in preparation 1. K. Cho and J. D. Joannopoulos, “Ultra High Density Memory Device,” United States Patent

No. 5,448,514 (1995)

2. S. Onga, R.W. Dutton, K. Cho, H. Takada, and T. Okada, “Semicondoctor Device Manufacturing Method,” United States Patent No. 6,514,885 (Feb. 4, 2003)

3. T. Wang, N. Moll, K. Cho, and J.D. Joannopoulos, "Compound Semiconductor Structure with lattice and Polarity Matched heteroepitaxial Layers," United States Patent No. 6,888,175 (May 3, 2005)

4. K. Cho and S. Peng, “Carbon Nanotube Sensors,” United States Patent No. 7,013,708 (March 21, 2006)

5. J. O’Keeffe and K. Cho, “Band-Structure Modulation of Nano-Structure in an Electric Field,” United States Patent No. 7,385,262 (June 10, 2008)

6. M. Huang and K. Cho, “Doped Mo Sulfide Catalysts for Chemical Production from Syngas,”

US Patent (in preparation).

7. Gong, C., L. Colombo, and K. Cho. “Photo-Assisted CVD Growth of Graphene Using Single Metal Atom as Catalyst.” US Patent (in preparation).

Invited talks to professional meetings and seminars: · 67 invited talks at International Conferences and Workshops (1991 – present) · 97 invited talks at Department Seminars and Tutorials (1993 – present) · 84 contributed talks at professional meetings (2006 – present) 67 Invited Conference Talks: 1. “Constant-temperature molecular dynamics,” Telluride Summer Workshop, (1991);

Telluride, CO, USA.

2. “STM tip-surface interactions,” APS 1994 March Meeting, (Mar. 21-25, 1994); Pittsburgh, PA, USA.

3. “Tip-induced modifications in STM and AFM,” Scanning Tunneling International, (May 7-12, 1994); Toronto, Canada.

4. “Wavelets in Electronic Structure Calculations,” the 5th Italian-Swiss Workshop on Computational Condensed Matter Physics, (Sep. 8-13, 1994); Sardinia, Italy.

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5. “First-principles study of semiconductor surfaces,” Symposium on Parallel Computing: state of the art and applications, (Oct. 27-28, 1994); Mexico City, Mexico.

6. “Intrinsic Surface Atom Manipulations in STM and AFM,” the 5th International Conference on the Formation of Semiconductor Interfaces, (Jun. 26-30, 1995); Princeton, NJ, USA.

7. “STM image of Si(100) surface,” ISPSA ’94, (Oct. 15, 1994); Seoul, Korea.

8. “Reversible tip-induced structural modifications in scanning tip microscopy,” the 3rd International Colloquium on Scanning Tunneling Microscopy, (Dec. 7-9, 1995); Kanazawa, Japan.

9. “STM signature of the As antisite defect in GaAs,” Gordon Research Conference on Point and Line Defects in Semiconductors, (Aug. 18-23, 1996); Andover, NH, USA.

10. “Density Functional Theory: from a wet electron to the concept of an ultra-high density memory device,” 1996 American Chemical Society Meeting, (Aug. 25-29, 1996); Orlando, FL, USA.

11. “Dynamical Processes on Silicon Surfaces,” the 10th Workshop on Recent Developments in Electronic Structure Algorithms, (May 29 – Jun. 1, 1998); U. Penn., Philadelphia, PA, USA.

12. “Rare-Event Molecular Dynamics for Multiscale Mechanics,” Symposium on Multiscale Analysis at the ASME Applied Mechanics & Materials Conference, (Jun. 27-30, 1999); Blacksburg, VA, USA.

13. “Stochastic Coupling between Atoms and Continuum,” Symposium on Computational Methods for Multiscale Simulation of Materials at the 5th U.S. National Congress on Computational Mechanics, (Aug. 4-6, 1999); Boulder, CO, USA.

14. “Multiscale Simulations for Computational Nanomechanics,” the 7th Foresight Conference on Molecular Nanotechnology, (Oct. 15-17, 1999); Palo Alto, CA, USA.

15. “Dynamical Processes on Semiconductor Surfaces,” Symposium on Nanomechanics of Surfaces and Interfaces at Society of Engineering Science (SES) Meeting, (Oct. 25-27, 1999); Austin, TX, USA.

16. “Multiscale Modeling of Gate Dielectric Thin Films,” Symposium on Multiscale Materials Modeling at IUMRS ICA 2000, (Jul. 23-26, 2000); Hong Kong.

17. “Computational Mechanics of Nanotubes,” Symposium on Multiscale Simulations: Mechanics of Materials from Nano- to the Meso-scale at ICES2K, (Aug. 23, 2000); Los Angeles, CA, USA.

18. “Nanotube Mechanics,” Symposium on Nanomechanics of surfaces and interfaces at ASME 2000, (Nov. 10, 2000); Orlando, FL, USA.

19. “Mechanics of Carbon Nanotubes,” Mardi Gras Conference on Multiscale Simualtion, Theoretical, and Experimentla Approaches to Deformation, Friction, Fatigue and Fracture, (Feb. 22-24, 2001); Baton Rouge, LA, USA.

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20. “Nanotube Materials Mechanics,” Symposium on Advances in Materials Theory and

Modeling at MRS Spring Meeting, (Apr. 16-20, 2001); San Francisco, CA, USA.

21. “Accelerated Dynamics for Defect Evolution in Nanostructures,” the 11th Lakeview Conference on Computational Research on Materials, (May 9-11, 2001); Morgantown, WV, USA.

22. “Time scale Problems in Atomistic Simulations,” Computational Materials Science Network Workshop on Micro structural Effects on the Mechanics of Materials, (Jun. 18-20, 2001); Berkeley, CA, USA.

23. “Computational Nanotechnology: Nanotube Mechanics,” Symposium on Modeling and Simulation of Micro and Nano Systems at the 6th U.S. National Congress on Computational Mechanics, (Aug. 1-4, 2001); Dearborn, MI, USA.

24. “First Principles Modeling of High-K Dielectric Materials,” International Workshop on Device Technology, (Sep. 3-5, 2001); Porto Alegre, Brazil.

25. “Carbon Nanotube Chemical and Mechanical Sensors,” the 3rd International Workshop on Structural Health Monitoring, (Sep. 12-14, 2001); Stanford, CA, USA.

26. “Accelerated Dynamics,” International Workshop on Multiscale Modeling of Materials Strength and Failure, (Oct. 7-9, 2001); Bodega Bay, CA, USA.

27. “Nanotube Mechanics for Nanodevice Applications,” Symposium on Nanoscale Materials and Structures at ASME 2001, (Nov. 11-16, 2001); New York, NY, USA.

28. “Chemical Reactivity Controlled Functionalization of Carbon Nanotubes,” the 3rd Motorola Workshop on Computational Materials and Electronics, (Nov. 12-14, 2001); Phoenix, AZ, USA.

29. “First Principles Study of High-k Dielectric-Silicon Interfaces,” the 3rd AVS International Conference on Microelectronics and Interfaces, (Feb. 11-14, 2002); Santa Clara, CA, USA.

30. “Multiscale Modeling of Patterned Nanostructures,” International Symposium on Nano- and Micro-mechanics, (June 17-20, 2002); London, UK.

31. “Modeling of Nanostructure Patterning,” the 14th U.S. National Congress of Theoretical

and Applied Mechanics, (June 23-28. 2002); Virginia Tech, Blacksburg, VA, USA. 32. “Mechanically Controlled Functionalization of Carbon Nanotubes,” 2002 US-Korea

Conference on Science, Technology and Entrepreneurship (UKC-2002), (July 8-13, 2002); Seoul, Korea.

33. “Multiscale Modeling of Nanostructure Patterning,” WCCM-V, (Jul. 7-12, 2002); Vienna, Austria.

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34. “Ab initio Design of Nanotbe Chemical Sensors,” Symposium on Nanotechnology & Nanosystem at ICES 2002, (Jul. 31-Aug. 2, 2002); Reno, NV, USA.

35. “Quantum atomistic study of diffusion in silicon-germanium alloys,” the 39th Annual Technical Meeting of the Society of Engineering Science (SES), (Oct. 13-16, 2002); Pennsylvania State University, PA, USA. [P. Ram]

36. “Mechanics of Carbon Nanotubes and Device Applications,” Symposium on Nanoscale Materials and Modeling at ASME, (Nov. 19, 2002); New Orleans, LA, USA.

37. “First Principles Modeling of High-K Dielectric Materials,” MRS Fall Meeting, (Dec. 4, 2002); Boston, MA, USA.

38. “Ab initio Study of Metal Electrode Work function,” International Workshop on Metal Gates/Workfunction Engineering, (Aug 28-29, 2003); Stanford University, Stanford, CA, USA.

39. “Multiscale Modeling for Nanosystem Design,” ASME Integrated Nanosystems, (Sep. 17-19, 2003); Palo Alto, CA, USA.

40. “Hierarchical Multiscale Study of Metal Nanoparticles,” SES Symposium on Atoms to Continua: Modeling Physics Hierarchically, (Oct. 12-15, 2003); Ann Arbor, MI, USA.

41. “Carbon Nanotubes as Chemical Sensors,” DOE-NSET Workshop on Artificially Structured Nanomaterials: Formation and Properties, (Oct. 13, 2003); Gatllinburg, TN, USA.

42. “Describing point defects in silicon by extending the local density approximation with the Hubbard model,” the 8th International Conference on Advanced Materials (ICAM) organized by the International Union of Materials Research Societies (IUMRS), (Oct. 8-13, 2003); Yokohama, Japan.

43. “Atomic scale study of high-k dielectric and metal gate electrodes,” the 5th Motorola Workshop on Computational Materials and Electronics, (Nov. 13-14, 2003); Austin, TX, USA.

44. “Atomic Scale Studies of High-k Gate Dielectrics,” MRS 2003 Fall Meeting, (Dec. 1-5, 2003); Boston, MA, USA.

45. “Multiscale Modeling of Nanosensors,” the 3rd International Conference on Computational Modeling and Simulation of Materials, (May 30-Jun. 4, 2004); Acireale, Italy.

46. “Mechanics of Nanotubes/Nanowires and Applications,” International Workshop on Nanomechanics, (Jul. 14 -17, 2004); Pacific Grove, CA, USA.

47. “Multiscale Modeling for Nanosystem Design,” 2004 US-Korea Conference on Science, Technology and Entrepreneurship (UKC2004), (Aug. 12-14, 2004); Research Triangle Park, NC, USA.

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48. “Rational Design of Nanocatalyst,” Clean Energy and Nanocatalyst Conference, (Aug. 20, 2004); SRI, Menlo Park, CA, USA.

49. [Keynote talk] “Nanosensor Design for Molecular Recognition,” 2004 SPIE Conference on Nanosensing: Materials and Devices, (Oct. 25-28, 2004); Philadelphia, PA, USA.

50. “Multiscale Modeling of Nanomaterials,” Symposium on Materials by Design at ICCES 2005 Conference, (Dec. 1-5, 2005); Chenni, India.

51. “Ab initio Study of Metal Work Function for High-k Gate Dielectrics,” SISPAD Workshop for the MOS gate stack and contact engineering (Sep. 5, 2006); Monterey, CA, USA.

52. “Multiscale Modeling of Nanomaterials – Challenges of Multiple Minima,” the Ninth Annual Kavli Chinese-American Frontiers of Science Symposium (Oct. 26-28, 2006); Irvine, CA, USA.

53. “Ab initio Study of Silicon Nanowires,” 9th Asian workshop on First-principles electronic structure calculations (Nov. 6-8, 2006); KIAS, Seoul, Korea.

54. “Ab initio Study of High-k Gate Stack,” the 53rd AVS Symposium (Nov. 12–17, 2006); San Francisco, CA, USA.

55. “Multiscale Modeling of Nanomaterials,” Texas-Korea Nanotechnology Workshop (Aug. 6-8, 2007); Dallas, TX, USA.

56. “Surface Effects of Silicon Nanowire Electronics,” 2007 US-Korea Conference (Aug. 9-11, 2007); Washington D.C., USA.

57. “High-k Gate Stack Modeling,” invited panel presentation at the 4th International Symposium on Advanced Gate Stack Technology (Sep. 25-28, 2007); Dallas, TX, USA.

58. “Multiscale Modeling of Silicon Nanowire Electronics,” 2007 MRS Fall Meeting (Nov. 26-30, 2007); Boston, MA, USA.

59. “Electronic Structure of Nanowires: Effects of Surface Chemistry and Quantum Transport Modeling,” CECAM/Psi-k workshop on Structural, electronic and transport properties of quantum wires (Jun. 9-12, 2008); Lyon, France.

60. “MoS2 Catalyst for Bioethanol Synthesis from Syngas,” 2008 International Materials Research Congress (Aug. 17-21, 2008); Cancun, Mexico.

61. “Computational Modeling of Graphene,” AVS 55th International Symposium and Exhibition (Oct. 19-24, 2008); Boston, MA, USA.

62. “Materials Science of Graphene for Novel Device Applications,” First International Symposium on Graphene and Emerging Materials for Post-CMOS Applications (May 24-29, 2009); San Francisco, CA, USA.

63. “Electronic structures of zigzag graphene nanoribbons with edge hydrogenation and

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oxidation” The 5th KIAS Electronic Structure Calculation Workshop (June 18-19, 2009) KIAS, Seoul, Korea.

64. “Multiscale Design of Catalyst Nanoparticles: from Concepts to Commercial Applications,” NNIN Workshop on Bridging the gap between theory and experiment: which theoretical approaches are best suited to solve real problems in nanotechnology and biology? (Feb. 23-26, 2010); Stanford University, Palo Alto, CA, USA.

65. “Rational Design of Electrical Energy Storage Systems,” IUMRS, Symposium L: Computational Design for Next Generation Electronic Materials (Aug. 23-26, 2010); KINTEX, Seoul, Korea.

66. “Multiscale Modeling Study of Graphene Oxides,” The 13th Asian Workshop on First-Principles Electronic Structure Calculations (Nov. 1~3, 2010); POSTECH in Pohang, Korea.

67. “Multiscale Design of Metal Alloy Catalysts for Clean Energy Applications,” 3rd DOE CMCSN Workshop on “Predictive Modeling of the Growth and Properties of Energy-relevant Thin Film and Nanostructures” (Jan. 22, 2011); UT Dallas, Richardson, TX, USA.

97 Invited Seminar Talks and Tutorials: 1. “Ab initio Dynamics: Si(100) surface,” Laboratory of Computer Science Seminar, (Oct. 4,

1993); MIT, Cambridge, MA, USA.

2. “First Principles Study of Semiconductor Surfaces,” Chez Pierre Condensed Matter Physics Seminar, (Sep. 9, 1994); MIT, Cambridge, MA, USA.

3. “Ultra High Density Dimer Memory Device,” Samsung Electronics Co., (Oct. 17, 1994); Suwon, Korea.

4. “First Principles Study of Semiconductor Surfaces,” Physics Department Seminar, (Oct. 18, 1994); Korea University, Seoul, Korea.

5. “First Principles Study of Semiconductor Surfaces,” Physics Department Seminar, (Oct. 20, 1994); Kyung Hee University, Suwon, Korea.

6. “First Principles Study of Semiconductor Surfaces,” Physics Department Seminar, (Dec. 13, 1995); Postech, Pohang, Korea.

7. “First Principles Study of Point Defects on Semiconductor Surfaces,” Physics Department Seminar, (Dec. 14, 1995); KAIST, Korea.

8. “Intrinsic Surface Atom Manipulation in STM and AFM,” Physics Department Seminar, (Dec. 16, 1995); Seoul National University, Seoul, Korea.

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9. “Electronic Structure Calculations at MIT Condensed Matter Theory Group,” Gaussian Program Scientific Advisory Meeting, (Apr. 20, 1996); New Haven, CT, USA.

10. “Ab initio Study of Electronic Structures of Materials,” Center for Astrophysics, (Oct. 28, 1996); Harvard University, MA, USA.

11. “First Principles Study of Epitaxial Growth on Semiconductor Surfaces,” Physics Department Seminar, (Jul. 11, 1996); Seoul National University, Seoul, Korea.

12. “First Principles Study of Epitaxial Growth on Semiconductor Surfaces,” Physics Department Seminar, (Jul. 24, 1996); Yonsei University, Seoul, Korea.

13. “Ab initio Prediction of Materials Behavior,” Mechanical Engineering Department Seminar, (Oct. 17, 1996); Stanford University, Stanford, CA, USA.

14. “First Principles Study of Semiconductor Surfaces,” Physics Department Seminar, (Jan. 10, 1997); Boston University, Boston, MA, USA.

15. “Microscopic Studies into the Behavior of Surfaces,” Physics Department Seminar, (Feb. 20, 1997); Philadelphia, PA, USA.

16. “Theory of Adsorption and Desorption of H2 on Si(111) surface,” Physics Department Seminar, (Jun. 10 1997); Seoul National University, Seoul, Korea.

17. “Ab initio Study of Atoms and Molecules on Si(111) surface,” Chemical Engineering Department Seminar, (Oct. 29, 1997); Stanford University, Stanford, CA, USA.

18. “Multiscale Simulations: Design Tool for Nanotechnology,” Stanford Mechanics and Computation Division Seminar, (Nov. 6, 1997); Stanford University, Stanford, CA, USA.

19. “Ab initio Study of Scanning Tip Microscopy,” Condensed Matter Physics Seminar, (Jan. 11, 1998); Stanford University, Stanford, CA, USA.

20. “Wavelets in Electronic Structure Calculations,” SCCM Seminar, (Jan. 26, 1998); Stanford University, Stanford, CA, USA.

21. “Computational Nanomechanics: Mechanics and Electronics of Nanotubes,” Stanford Mechanics and Computation Division Seminar, (Oct. 14, 1999); Stanford University, Stanford, CA, USA.

22. “Computational Nanomechanics: Mechanics and Electronics of Nanotubes and Balls,” Stanford Materials Science & Engineering Colloquium, (Nov. 12, 1999); Stanford University, Stanford, CA, USA.

23. “Atomistic Modeling for Computational Nano Engineering,” Stanford Center for Turbulence Research Seminar, (Jan. 26, 2001); Stanford University, Stanford, CA, USA.

24. “Computational Nano Engineering of Materials,” Materials Group Seminar at Princeton University, (Feb. 20, 2001); Princeton, NJ, USA.

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25. “First Principles Modeling of Materials,” Tutorial Lecture at 2001 MRS Spring Meeting,

(Apr. 16-20, 2001); San Francisco, CA, USA.

26. “Computational Nanotechnology: Nanotubes and Fullerenes,” Stanford Nanotechnology Workshop, (Jul. 19, 2001); Stanford University, Stanford, CA, USA.

27. “Computational Nanotechnology: Nanotubes and Fullerenes,” Smart Structure Research Center Workshop, (Sep. 15, 2001); Sand Francisco, CA, USA.

28. “Computer-Aided Design of Electronic Materials and Nanodevices,” TCAD Group Seminar at Intel Corp., (Sep. 19, 2001); Santa Clara, CA, USA.

29. “Computational Nanotechnology,” Physics Department Colloquium at Virginia Polytech University, (Oct. 26, 2001); VA, USA.

30. “Computational Nanotechnology,” Mechanical Engineering Department Colloquium at Northwestern University, (Nov. 9, 2001); Evanston, IL, USA.

31. “Research Projects at Stanford Multiscale Simulation Lab,” Multiscale Modeling, Simulation and Visualization Workshop, (Mar. 5-6, 2002); NASA Langley Research Center, Hampton, VA, USA.

32. “Multiscale Modeling of Nanostructure Patterning,” ARO Workshop on Nanoscale Mechanics, (Apr. 9-10, 2002); Panama City, FL, USA.

33. “Multiscale Modeling for Nanomaterials Design,” Mechanical Engineering Department Seminar at UIUC, (Mar. 18, 2003); Urbana-Champagn, IL, USA.

34. “Ab initio Study of Nanotube Sensors,” North California Nano Teleconference, (Jul. 16, 2003); Palo Alto, CA, USA.

35. “Multiscale Modeling for Nanomaterials Design,” the 2nd US-Korea Workshop on Nano-structured Materials and Nanomanufacturing, (Aug. 9, 2003); Caltech, CA, USA.

36. “Multi-Scale Computational Engineering of Nanotechnology,” UKC 2003, (Aug. 8-10, 2003); Caltech, CA.

37. “Medical Applications of Nanotechnology,” Kaiser Permanente Medical Center Grand Round, (Aug. 13, 2003), South San Francisco, CA, USA.

38. [1/2 day tutorial] “Computational Nanotechnology: Multiscale Modeling of Nanomaterials,” Stanford Engineering and Science Institute: Nanoscience and Nanotechnology 2003, (Aug. 18-22, 2003); Stanford, CA, USA.

39. [1/2 day tutorial] “Multiscale Modeling for Nanostructure Patterning,” UW-PNNL Nanoscience program, (Sep. 19, 2003); University of Washington, Seattle, WA, USA.

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40. “Multiscale Modeling for Nanosystem Design,” Mechanical Engineering Department Colloquium, (Mar. 18, 2004); University of Missouri, Rolla, MS, USA.

41. “Future Directions of Computational Mechanics Education,” USACM Workshop on Computational Nanomechanics of Materials, (Apr. 26-27, 2004); Chicago, IL, USA.

42. [1 day tutorial] “Nanomaterials Modeling,” Summer School on Computational Materials Science, Introduction to Computational Nanotechnology, (Jun. 10, 2004); University of Illinois at Urbana-Champaign, IL, USA.

43. [1/2 day tutorial] “Computational Nanotechnology: Multiscale Modeling of Nanomaterials,” Stanford Engineering and Science Institute: Nanoscience and Nanotechnology, (Jul. 27, 2004); Stanford, CA, USA.

44. [1/2 day tutorial] “Advances in Computational Prototyping of Electronic Materials,” Stanford Engineering and Science Institute: New Electronic Materials for Extending Moore’s Law, (Aug. 26, 2004); Stanford, CA, USA.

45. “Multiscale Modeling for Nanomaterials Design,” Geophysics Department Seminar, (Jan. 6, 2005); Stanford, CA, USA.

46. “Is smaller stronger?” SMAC-Stanford Symposium, (Apr. 18, 2005); Stanford, CA, USA.

47. “Ab initio Study of Work Functions,” Workshop on Metal Source/Drain Technology, (May 12, 2005); Stanford, CA, USA.

48. “Multiscale Modeling of Nanomaterials,” SKKU Advanced Institute of Nanotechnology, (Sep. 14, 2005); Sungkyunkwan University, Suwon, Korea.

49. “Computational Nanotechnology and Nanomaterials Modeling,” KIAS Seminar, (Dec. 21 and 22, 2005); Seoul, Korea.

50. “Multicale Modeling of Nanomaterials and Interfaces,” Electrical Engineering Department Seminar, UC Santa Cruz (Mar. 10, 2006); Santa Cruz, CA, USA.

51. “Nanomaterials for Energy Applications,” ASM International Monthly Technical Meeting, (Mar. 8, 2006); Mountain View, CA, USA.

52. “Multicale Modeling of Nanomaterials and Interfaces,” Electrical Engineering Department Seminar, UT Dallas (Apr. 5, 2006); Dallas, TX, USA.

53. “Multiscale Modeling of Nanowire-Molecule Interactions,” Mechanical and Industrial Engineering Department Seminar, University of Illinoi at Urbana-Champagne (Apr. 18, 2006); IL, USA.

54. “Multiscale Modeling of Nanowire-Molecule Interactions,” Mechanical Engineering Department Seminar, Northwestern University (Apr. 20, 2006); IL, USA.

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55. “Multiscale Modeling of Nanowire-Molecule Interactions,” Mechanical Engineering Department Seminar, Florida State University (May 17, 2006); FL, USA.

56. “Multiscale Modeling of Nanowire-Molecule Interactions,” Physics Department Seminar, UT Dallas (Jun. 7, 2006); Dallas, TX, USA.

57. “Nanomaterials for Energy Applications,” KIAS Seminar (Jul. 26, 2006); Seoul, Korea.

58. “Multiscale Modeling of Nanowire-Molecule Interactions,” KIAS Seminar (Jul. 27, 2006); Seoul, Korea.

59. “Modeling Atoms and Electrons in Nanoscale Materials,” UT Dallas Materials Science and Engineering Seminar (Nov. 3, 2006); Richardson, TX, USA.

60. “Multiscale Modeling of Nanowire-Molecule Interactions,” UT Dallas Bio-Nano Group Meeting Seminar (Dec. 5, 2006); Richardson, TX, USA.

61. “Multiscale Optimization of nanomaterials,” KIAS Protein One-Day Workshop (Dec. 28, 2006); Seoul, Korea.

62. “Materials Modeling for Nanoelectronics,” KAIST Physics Department Seminar (Jan. 3, 2007); Daedeok, Korea.

63. “Multiscale Modeling of Nanowire-Molecule Interactions,” Sookmyung Women’s University (Jan. 5, 2007); Seoul, Korea.

64. “Materials Modeling for Nanoelectronics,” UT Austin ERC Seminar (Mar. 30, 2007); Austin, TX, USA.

65. “Materials Modeling for Nanoelectronics,” SAIT seminar (June 28, 2007); Samsung, Suwon, Korea.

66. “Materials Modeling for Nanoelectronics,” Yonsei University Physics Department Seminar (July 12, 2007); Seoul, Korea.

67. “Multiscale Modeling of Nanocatalysts,” KRICT seminar (Jul. 18, 2007); Daedeok, Korea.

68. “Multiscale Modeling of Nanoscale Wires,” Chemistry Department Seminar, Univ. of North Texas (Oct. 12, 2007); Denton, TX, USA.

69. “Multiscale Modeling Ideas and related simulation results for CNT Mechanics Modeling,” LM Nanotechnology Structures Modeling Workshop (Feb. 28, 2008); ATL, Cherry Hill, NJ, USA.

70. “Biomass to Fuel Conversion Catalyst Modeling,” Du Pont Research Center Seminar (Apr. 18, 2008); Philadelphia, PA, USA.

71. “Materials Modeling for Nanoelectronics,” Lockheed Martin Advanced Technology Center Seminar (May 28, 2008); Palo Alto, CA, USA.

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72. “Materials Modeling for Nanomaterials,” Special Topics of Computational Sciences: KIAS

Scholars (Jul. 2, 2008); Seoul, Korea.

73. “Effect of Metal Impurities in Organic Semiconductors,” Kyung Hee University Display Department Seminar (Jul. 3, 2008); Seoul, Korea.

74. “Computational Modeling of Graphene Nanoribbon and Grapnene Oxide,” NIST Ceramics Division Seminar (Nov. 7, 2008); Gaithersburg, MD, USA.

75. “Electronic Structures of Graphene Nanoribbons and Grapnene Oxides,” University of North Texas, Materials Science & Engineering Department Seminar (Nov. 21, 2008); Allen, TX, USA.

76. “Multiscale Modeling: motivation strategy, and approaches for nanoscale materials,”Lockheed Martin Nanotechnology Modeling Workshop (Dec. 8-9, 2008); Fort Worth, TX, USA.

77. “Materials Science Research for Sustainable Energy Technology,” Texas A&M University – Commerce, Physics Department Colloquium (Apr. 2, 2009); Commerce, TX, USA.

78. “Thermoelectric Materials for Sustainable Energy Technology,” KRICT Seminar (Jun. 24, 2009); DaeJeon, Korea

79. “Materials Science Research for Sustainable Energy Technology,”Samsung Invention Workshop (Jul. 24-25, 2009); Santa Clara, CA, USA.

80. “Energy, Machine and Climate,” Mechanical Engineering Department Seminar, Seoul National University (Dec. 11, 2009); Seoul, Korea.

81. “Multiscale Simulation Study of Nanotube Composite Mechanics,” Multiscale Mechancis Workshop (Dec. 15, 2009); Seoul, Korea.

82. “Rational Design of Nanomaterials for Energy Storage Applications,” SAIT Battery Group Seminar (Dec. 17, 2009); Giheung, Korea.

83. “Rational Design of Nanomaterials for Energy Storage Applications,” SMU Mechanical Engineering Department Seminar (Apr. 16, 2010); Dallas, TX, USA.

84. “Rational Design of Nanomaterials for Energy and Environment Applications,” Cheil Industries Seminar (May 6, 2010); Uiwang-Si, Gyeonggi-do, Korea.

85. “Materials Modeling for Electric Energy Storage,” UT System Energy Workshop (May 19-20, 2010); UTD, Richardson, TX, USA.

86. “Multiscale Design of Catalyst Nanoparticles,” KIST Computation Research Center Seminar (Jun. 18, 2010); Seoul, Korea.

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87. “Computational Materials Science Research: Electronic Devices and Sustainable Energy Technology,” Hanyang University Seminar (Aug. 23, 2010); Seoul, Korea.

88. “Atomistic Modeling of Solid Materials,” Korean Society of Mechanical Engineering Modeling Tutorial (Aug. 27, 2010); Seoul, Korea.

89. “Rational Design of Energy Storage Systems,” Panel presentation at UTD ENTP6398 (Aug. 31, 2010); UTD, Richardson, TX, USA.

90. “Multiscale Modeling for Rational Material Design: Basic Concepts and an Example of Successful Product Development,” SAIT Forum (Nov. 4, 2010); Samsung Advanced Institute of Technology, Giheung, Korea.

91. “Rational Design of Energy Storage Systems,” Varian Semiconductor Equipment Associates (Dec. 1, 2010); Gloucester, MA, USA.

92. “Multiscale Modeling for Rational Material Design,” SK Chemical Research Center (Dec. 13, 2010); Suwon, Korea.

93. “Multiscale Design of Catalysts,” Nano Catalyst Design Mini-Workshop (Dec. 16, 2010); KRICT, Daedeok, Korea.

94. “Multiscale Modeling for Rational Material Design,” Yulchon Chemistry (Dec. 29, 2010); Seoul, Korea.

95. “Experimental and Theoretical Studies of Thermoelectric Materials,” II-VI Foundation Mini-Workshop on ‘the Development and Processing of High Temperature Materials for Advanced Devices and Components’ (Jan. 28, 2011); UT Dallas, Richardson, TX, USA.

96. “Multiscale Modeling Study of Graphene Oxides,” Materials Science and Engineering Department Colloquium (Feb. 17, 2011); UT Dallas, Richardson, TX, USA.

97. “Basics of DFT Simulations,” WCU Tutorial in Multiscale Simulations (Mar. 8, 2011); Seoul National University, Seoul, Korea.

84 Contributed abstracts and oral presentations at professional meetings (2006 – present): 1. K. Cho, “Multiscale Modeling of Silicon Nanowires,” ECI Conference on Innovative

Nanoscale Approach to Dynamic Studies of Materials, Okinawa, Japan (Jan. 2006)

2. A. Svizhenko, P. Leu, and K. Cho, “Effect of surface roughness, defects and phonon scattering on electron current through silicon nanowires,” 2006 APS March Meeting.

3. A. Svizhenko, P. Leu, and K. Cho, “Effect of Surface Roughness on Electron Transport in SiNWs,” 2006 MRS Spring Meeting.

4. J. Ha, P. McIntyre, and K. Cho, “First-principles Study of HfO2/SiO2 Interfaces,”2006 MRS Spring Meeting

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5. P. Leu, B. Shan, and K. Cho, “Surface Chemical Control of Silicon Nanowire Electronic

Structure,” 2006 MRS Spring Meeting.

6. W. Xiao, M. Baskes, and K. Cho, “Ni-C MEAM Simulations,” 2006 MRS Spring Meeting.

7. Z. Zhang, H. Liu, and K. Cho, “Ab initio Study of Hydrogen Storage on CNT,” 2006 MRS Spring Meeting.

8. Z. Zhang, B. Magyari-Kope, H. Liu, and K. Cho, “Computational characterization and design of hydrogen storage in CNT and Li3N,” 2006 ACS Fall Meeting.

9. B. Magyari-Kope, Yoshio Nishi, Luigi Colombo, Kyeongjae Cho, “Ab initio Study of Metal Interfaces with HfO2 and SiO: Work Function Modulation,”2007 APS March Meeting (Mar. 5-9, 2007); Denver, CO, USA.

10. Jeong-Hee Ha, Paul C. McIntyre and Kyeongjae (KJ) Cho, “Fluorine Incorporation at HfO2/SiO2 Interfaces in High-k Metal-Oxide-Semiconductor Gate Stacks,” MRS 2007 Spring Meeting (Apr. 9-13, 2007); San Francisco, CA, USA.

11. B. Magyari-Kope, Yoshio Nishi, Luigi Colombo, Kyeongjae Cho, “Implications to Work Function Modulation from Metal-Oxide Interface Configurations: case of study HfO2 and SiO2,” MRS 2007 Spring Meeting (Apr. 9-13, 2007); San Francisco, CA, USA.

12. Paul W Leu, Terry Hou, Kyeongjae Cho and Paul McIntyre, “Fabrication and Transport Characterization of Embedded Vertical Ge Nanowires,” MRS 2007 Spring Meeting (Apr. 9-13, 2007); San Francisco, CA, USA.

13. P. Leu, A. Svizhenko, and K. Cho, “DFT and NEGF Modeling of Silicon Nanowire Electronics,” The 3rd KIAS Workshop on Electronic Structure Calculations (June 19, 2007); Seoul, Korea.

14. H. Gong and K. Cho, “First principles study of Nb-W metal gate electrode,” 4th International Symposium on Advanced Gate Stack Technology (Sep. 26-28, 2007); Dallas, TX, USA.

15. Geunsik Lee and Kyeongjae Cho, nanoTX 2007 “Edge Effects on Electronic Structures of Zigzag Graphene Nanoribbons,” (Oct. 2-4, 2007); Dallas, TX, USA.

16. B. M. Clemens, A. Chandra, M. Larsson, Y. Lee, and K. Cho, “Inorganic Routes For Forming Metal Nanoparticle Arrays,” 2007 MRS Fall Meeting (Nov. 26-30, 2007); Boston, MA, USA.

17. Jing Xue, Geunsik Lee, and Kyeongjae Cho, “The effect of metal impurities on the electronic structure of pentacene,” Trans-Pacific Conference on Flexible Electronics (Dec. 3, 2007); Richardson, TX, USA.

18. B. Magyari-Kope, Y. Nishi and K. Cho, “Ab initio Study of Metal Gate Electrode - Gate Oxide Interface Work Function,” the 38th IEEE SISC (Dec. 6-8, 2007); Arlington, VA, USA.

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19. G. Lee and K. Cho, “Electronic Properties of Graphene Oxide,” APS March Meeting (Mar.

10-14, 2008); New Orleans, LA, USA.

20. Blanka Magyari-Kope, Yoshio Nishi and Kyeongjae Cho, “Effective Work Function Control by Metal-Oxide Interface Characteristics,” MRS Spring Meeting (Mar. 24-28, 2008); San Francisco, CA, USA.

21. Alexander Kuznetsov, Alexandre Fonseca, Kyeongjae Cho, Ray Baughman and Anvar Zakhidov, “A Model of Dry-drawing of Multiwall Carbon Nanotube Forests into Self-assembled Sheets,” MRS Spring Meeting (Mar. 24-28, 2008); San Francisco, CA, USA.

22. G. Lee and K. Cho, “Directional band gap opening of graphene oxide,” NRI Graphene Workshop (May 8, 2008); Cambridge, MA, USA.

23. Jing Xue, Geunsik Lee, and Kyeongjae Cho, “The Effect of Metal Impurities on the Electronic Structure of Pentacene,” The 4th KIAS Workshop on Electronic Structure Calculations (June 26-27, 2008); Seoul, Korea.

24. Weichao Wang, Geunsik Lee, Min Huang, Robert M. Wallace, and Kyeongjae Cho, “First-Principles study of GaAs (001)-β2(2x4) surface oxidation,” The 5th International Symposium on Advanced Gate Stack Technology (Sep. 29 - Oct. 1, 2008); Austin ,TX, USA.

25. J. Xue, G. Lee, K. Cho, “The effect of metal impurities on the electronic structure of pentacene,” SRC 2008 Techcon Conference (Nov. 3-4, 2008); Austin, TX, USA.

26. K. Xiong, J. Robertson, G. Pourtois, J. Pétry, M. Müller, and K. Cho, “Impact of incorporated Al on the TiN/HfO2 interface effective work function,” The 39th Semicondcutor Interface Specialists Conference (Dec. 11-13, 2008); San Diego, CA, USA.

27. G. Lee and K. Cho, “Metal-Insulator Transition in Graphene Oxide Nanoribbon,” APS March Meeting (March 16-20, 2009); Pittsburgh, PA.

28. A.F. Fonseca, H. Zhang, T.L. Borders, V. Flores, R.R. Barto and K. Cho, “Multiscale simulation study of nanotube composite mechanics,” The 237th ACS National Meeting (Mar. 22-26, 2009); Salt Lake City, UT.

29. T.L. Borders, A. Rusinko III, K. Cho and A.F. Fonseca "Quantitative structure property relationships of nanotube structural and mechanical properties" The 237th ACS National Meeting (Mar. 22-26, 2009); Salt Lake City, UT.

30. V. Flores, M.J. Leamy, H. Zhang, A.F. Fonseca, and K. Cho "Identification of critical parameters in continuum level modeling of nanocomposites through a multiscale study" 237th ACS National Meeting (Mar. 22-26, 2009); Salt Lake City, UT.

31. R.R. Barto, T.L. Borders, C.M. Breneman, L.S. Schadler, and K. Cho, “Multiscale modeling motivation, strategy, and approaches for nanoscale material and device design and development” (Mar. 22-26, 2009); Salt Lake City, UT.

30

32. J. Xue, G. Lee, B. Shan, B.E. Gnade and K. Cho, “The metal and organic impurities on pentacene,” 2009 MRS Spring Meeting (Apr. 13-17, 2009); San Francisco, CA.

33. W. Wang, K. Xiong, G. Lee, M. Huang, R.M. Wallace and K. Cho, “First principles study of HfO2:GaAs interface passivation by Si and Ge,” 2009 MRS Spring Meeting (Apr. 13-17, 2009); San Francisco, CA.

34. H. Choi, M. Huang, J.B. Ballard, K.T. He, S.W. Schmucker, J.W. Lyding, J.N. Randall and K. Cho, “Theoretical and Experimental Study of Tip Electronic Structure in Scanning Tunneling Microscope,” 2009 MRS Spring Meeting (Apr. 13-17, 2009); San Francisco, CA.

35. B. Lee, G. Mordi, TJ. Park, Y. J. Chabal, K. J. Cho, E. M. Vogel, M. J. Kim, L. Colombo, R. M. Wallace, and J. Kim, “Atomic-layer-deposited Al2O3 as gate dielectrics for graphene-based devices,”1st International Symposium on Emerging Materials for Post-CMOS Applications, 215th Meeting of the Electrochemical Society, May 25-29, 2009, San Francisco, CA.

36. M. Huang and K. Cho, "MoS2 Catalyst for Bioethanol Synthesis from Syngas", 21st North American Catalysis Society Meeting (Jun 2009); San Francisco, CA.

37. N. Kapur, Bin Shan, J. Hyun, J.B. Nicholas and K. Cho, “An ab initio Study of CO Hydrogenation on Rh Surfaces,” 21st North American Catalysis Society Meeting (Jun 2009); San Francisco, CA.

38. W. Wang, K. Xiong, G. Lee, M. Huang, R.M. Wallace and K. Cho, “First principles study of HfO2:GaAs interface passivation by Si and Ge” The 5th KIAS Electronic Structure Calculation Workshop (June 18-19); Seoul, Korea.

39. H. Choi, M. Huang, J.B. Ballard, K.T. He, S.W. Schmucker, J.W. Lyding, J.N. Randall and K. Cho, “Theoretical and Experimental Study of Tip Electronic Structure in Scanning Tunneling Microscope,” The 5th KIAS Electronic Structure Calculation Workshop (June 18-19); Seoul, Korea.

40. G. Lee and K. Cho, “Electronic structures of zigzag graphene nanoribbons with edge hydrogenation and oxidation, and study on transport gap,” International Workshop on Recent Progress in Graphene Research (June 29 – July 2, 2009); Seoul, Korea.

41. J. Xue, G. Lee, B. Shan, B.E. Gnade and K. Cho, “First principle study of metal impurity induced electronic structure change in pentacene” Organic Microelectronics & Optoelectronics Workshop (Jul 2009); San Francisco, CA.

42. C. Gong, G. Lee, B. Shan and K. Cho, “Ab initio Study of Metal-Graphene Interface,” Organic Microelectronics & Optoelectronics Workshop (Jul 2009); San Francisco, CA.

43. B. Lee, G. Mordi, Y.J. Chabal, K.J. Cho, M. J. Kim, E. M. Vogel, R.M. Wallace, L. Colombo, J. Kim, “High-k dielectric deposition using ALD (atomic layer deposition) for graphenebased nanoelectronics,” ALD 2009 – 9th international Conference on Atomic Layer Deposition, July 19-22, 2009 Monterey, CA, USA.

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44. W. Wang, K. Xiong, G. Lee, M. Huang, R.M. Wallace, and K. Cho, “Impact of native

oxides on GaAs/HfO2 interfaces: A First principles study,” TECHCON (Sep.10, 2009); Austin, TX.

45. I.S. Chopra, J.-F. Veyan, M.P. Nadesalingam, N. Dao, O. Seitz, W.P. Kirk, J. Randall, M. Huang, K. Cho, R.M. Wallace, Y. Chabal, “Si ALE using Molecular Disilane on Si(100)-(2x1),” 56th International Symposium if the AVS, November 9-11, 2009, San Jose, CA, USA.

46. M. Huang, J. Randall, Y.J. Chabal, R.M. Wallace, and K. Cho “Ab initio study of silane and disilane adsorption on Si(100)-(2x1) surface,” APS March Meeting 2010 (March 15–19, 2010); Portland, Oregon.

47. M. Acik, G. Lee, K. Cho, and Y.J. Chabal, “Non-adiabatic Interactions in Reduced Graphene Oxide,” APS March Meeting 2010 (Mar. 15–19, 2010); Portland, Oregon.

48. N. Kapur, J. Hyun, B. Shan, X. Hao, J. B. Nicholas and K. Cho, “Syngas Conversion on Rhodium Surfaces: First-Principles Based Analysis of Sites & Routes Responsible for Oxygenate & Hydrocarbon Selectivity,”2010 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

49. K. Xiong, R.P. Gupta, J.B. White, B.E. Gnade and K. Cho, “Impact of dopants on the PbTe thermoelectric efficiency,” 2010 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

50. R.P. Gupta, K. Xiong, J.B. White, K. Cho, and B.E. Gnade, “Improvement in contact resistivity to thin film Bi2Te3,” 2010 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

51. W. Wang, K. Xiong, G. Lee, M. Huang, R.M. Wallace and K. Cho, “Band Offset Control by Interfacial Oxygen Content at GaAs:HfO2 interfaces,” 2010 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

52. C. Gong, G. Lee, B. Shan, W. Wang, and K. Cho, “First-Principles and Quantum Transport Studies of Metal-Graphene Contacts,” 2010 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

53. N. Kapur, C. Sampara, X. Hao, J. Hyun, B. Shan, J.B. Nicholas, B. Davis, and K. Cho, “Microkinetic study of oxygenate and hydrocarbon formation from syngas on rhodium and cobalt surfaces: Effect of site structure on catalytic cycles,” 2010 NSTI Nanotechnology Conference and Expo (Jun. 21-24, 2010); Anaheim, CA.

54. S. Kim, M. Cho, K. Cho, “Ab initio Study of Li Diffusion Enhancement in Solid Electrolyte,” 6th KIAS Electronic Structure Calculation Workshop (Jun. 21-22, 2010); Seoul, Korea.

55. J.-H. Yun, M. Cho, K. Cho, “NO dissociation on Rh catalyst surface,” 6th KIAS Electronic Structure Calculation Workshop (Jun. 21-22, 2010); Seoul, Korea.

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56. J. Moon, G. Lee, M. Cho, K. Cho, “Ab initio study of Li diffusion in Li15Si4 for anode materials of Li-ion batteries,” 6th KIAS Electronic Structure Calculation Workshop (Jun. 21-22, 2010); Seoul, Korea.

57. S. Kim, M. Cho, G. Lee, and K. Cho, “Ab initio Study of Li Diffusion in Solid Electrolyte,” IUMRS, Symposium L: Computational Design for Next Generation Electronic Materials (Aug. 23-26, 2010); KINTEX, Seoul, Korea.

58. J. Moon, G. Lee, M. Cho, K. Cho, “Ab initio Study of Li Diffusion in Si Anode of Li ion Batteries,” IUMRS, Symposium L: Computational Design for Next Generation Electronic Materials (Aug. 23-26, 2010); KINTEX, Seoul, Korea.

59. M. Acik, C. Mattevi, G. Lee, C. Gong, K. Cho, M. Chhowalla, Y. J. Chabal, “Chemical interactions during thermal reduction of multilayered graphene oxide,” AVS 57th International Symposium and Exhibition (Oct. 17 – 22, 2010); Albuquerque, NM.

60. J.-F. Veyan, M.P. Nadesalingam, M. Huang, H. Dong, W.P. Kirk, J. Randall, K. Cho, R.M. Wallace, Y. Chabal, “Nanoscale patterning of hydrogen terminated surfaces,” AVS 57th International Symposium and Exhibition (Oct. 17 – 22, 2010); Albuquerque, NM.

61. J.-F. Veyan, M.P. Nadesalingam, M. Huang, H. Dong , J. Randall, Y. Chabal, K. Cho, W.P. Kirk, R.M. Wallace, “Atomic layer Epitaxy of Ge on Si(100)-(2x1),” AVS 57th International Symposium and Exhibition (Oct. 17 – 22, 2010); Albuquerque, NM.

62. M.D. Bhatt, M. Cho, and K. Cho, “Role of non-aqueous electrolytes in applications of Lithium-ion and Lithium-air batteries: Interaction of Li+ ions with electrolytes EC, VC and PC,” The 13th Asian Workshop on First-Principles Electronic Structure Calculations (Nov. 1-3, 2010); POSTECH in Pohang, Korea.

63. J. Moon, M. Cho, K. Cho, “Ab initio study of diffusion in Li-Si alloys as negative electrode for lithium-ion batteries,” The 13th Asian Workshop on First-Principles Electronic Structure Calculations (Nov. 1-3, 2010); POSTECH in Pohang, Korea.

64. M. Acik, C. Gong, G. Lee, C. Mattevi, M. Chhowalla, K. Cho, Y. J. Chabal, “A novel approach to interface engineering of reduced graphene oxide,” MRS Fall Meeting 2010 (Nov. 29 - Dec. 3, 2010); Boston, MA.

65. M. Acik, R. Guzman, C. Gong, K. Cho, Y.J. Chabal, “Kinetics of oxygen removal in reduced graphite oxide using infrared spectroscopy,” MRS Fall Meeting 2010 (Nov. 29 - Dec. 3, 2010); Boston, MA.

66. Hisato Yamaguchi, Katsuhisa Murakami, Goki Eda, Takeshi Fujita, Julien Boisse, Pengfei Guan, Fujio Wakaya, Kyeongjae Cho, Yves Chabal, Mingwei Chen, Mikio Takai, Manish Chhowalla, “Field emission from atomically thin edges of reduced graphene oxide,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

67. Ramin Abolfath, Cheng Gong, Muge Acik, Yves Chabal, and Kyeongjae Cho, “Computational Studies for Reduced Graphene Oxide in Alcohol- and Hydrogen-Rich Environments,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

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68. Muge Acik, Geunsik Lee, Cecilia Mattevi, Manish Chhowalla, Kyeongjae Cho and Yves J.

Chabal, “Electron Phonon Coupling Mechanism in Thermally Reduced Graphene,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

69. Hengji Zhang and Kyeongjae Cho, “A search for the dominant heat conducting phonon modes in graphene: An atomistic simulation study,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

70. Jean-Francois Veyan, Heesung Choi, Joshua Ballard, Stephen McDonnell, Wiley P. Kirk, Robert M. Wallace, John Randall, Kyeongjae Cho, and Yves J. Chabal, “Atomic Layer Epitaxy of Si and Ge on Si(100)-(2x1),” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

71. Cheng Gong, Weichao Wang, Geunsik Lee, Bin Shan and Kyeongjae Cho, “Metal Electrode Effect on Electronic Transport through Graphene,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

72. Santosh K.C., Ka Xiong and Kyeongjae Cho, “First-Principles Study of LiPON Solid Electrolyte,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

73. Roberto Longo Pazos, Ka Xiong, Weichao Wang and Kyeongjae Cho, “Li ion migration of lithium thiophosphate solid electrolyte materials,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

74. Ka Xiong, Sabina Sobhanni, Rahul Gupta, Weichao Wang, Bruce Gnade and Kyeongjae Cho, “Impact of impurities on the electronic structures of thermoelectric material Mg2Si,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

75. Weichao Wang, K. Xiong, Robert M. Wallace and Kyeongjae Cho, “Origin of interfacial gap states in Ga2O3 layer grown on GaAs surface and interface passivation by F and Gd,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

76. Heesung Choi, Min Huang, John Randall and Kyeongjae Cho, “Theoretical Study of tip apex electronic structure in Scanning Tunneling Microscope,” 2011 APS March Meeting (Mar. 21-25, 2011); Dallas, TX.

77. K. Xiong, S. Sobhani, R. Gupta, B. Gnade and K. Cho, “Impact of Impurities on the Electronic Structure of Thermoelectric Material Mg2Si,” 2011 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

78. K. Xiong, W. Wang and K. Cho, “First Principles Study of Li Ion Migration of Lithium Phosphate and Thiophosphate Solid Electrolyte Materials,” 2011 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

79. K. Xiong, L. Lin, K. Cho and J. Robertson, “The Behavior of Hydrogen in GeO2 and at Ge:GeO2 Interfaces,” 2011 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

80. Hisato Yamaguchi, Katsuhisa Murakami, Goki Eda, Takeshi Fujita, Julien Boisse, Pengfei

34

Guan, Fujio Wakaya, Kyeongjae Cho, Yves Chabal, Mingwei Chen, Mikio Takai and Manish Chhowalla, “Field Emission from Atomically Thin Edges of Reduced Graphene Oxide,” 2011 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

81. Hengji Zhang and Kyeongjae Cho, “Heat Transport in Graphene: An Atomistic Simulation Study,” 2011 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

82. Xianbao Duan, Kyeongjae Cho and Bin Shan, “Development of Extended Embedded Atom Method via Lattice Inversion,” 2011 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

83. Heesung Choi, Min Huang, Josh Ballard, Jean-Francois Veyan, Randall John, Yves Chabal, Robert M. Wallace and Kyeongjae Cho, “First Principles Study of Hydrogen Desorption from Si (100) and Ge (100) Surfaces,” 2011 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

84. Weichao Wang, Pil-Ryung Cha, Sang ho Lee, Moon Kim, Kyeongjae Cho and Kyu Dong Kim, “First Principles Study of Si Etching by CHF3 Plasma Source,” 2011 MRS Spring Meeting (Apr. 5-9, 2010); San Francisco, CA.

External funding for original investigations: · 52 Proposals submitted (2006 – present): 39 rejected or under review, 13 awarded · 34 Grants/contracts awarded (1997 – present): 22 at Stanford, 12 at UTD 39 Proposals submitted (2006 – present): rejected or under review “Comprehensive Rational Design and Development of Fuel Cell Cathode Catalysts,” K. Cho (PI), B. Clemens, S. Mao, J. Woo Department of Energy 10/1/2006 – 9/20/2010, $4,000,000 Rejected “GOALI: Collaborative Research on High-k Dielectrics on III-V Compound Semiconductors,” R. Wallace (PI), K. Cho, J. Kim, E. Vogel National Science Foundation 7/1/2007-6/30/2010, $730,761 Rejected “NOVEL FUNCTIONAL BLOCK COPOLYMERS FOR HIGH TEMPERATURE PROTON EXCHANGE MEMBRANES,” J. Ferraris (PI), K. Cho, K. Balkus, I. Musselman, D.J. Yang Department of Energy 9/1/2007-8/30/2010, $1,330,739 Rejected “Theoretical and Experimental Study of Metallic Nanotube/Metal Electrode Contacts,”

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K. Cho (PI) and H. Dai Intel 7/1/2007-6/30/2010, $720,000 Rejected “GOALI: Collaborative Research on High-k Dielectrics on III-V Compound Semiconductors,” R. Wallace (PI), K. Cho, J. Kim, E. Vogel, Paul R Pinsukanjana NSF, 8/1/2008-7/31/2011, $888,298 Rejected “Bioethanol Production from Biomass using Thermochemical Process,” K. Cho (PI), K. Balkus, J. Woo, S. Mao KORUS 9/1/2008-8/31/2013, $10,000,000 Pre-proposal Rejected “Combined Theoretical and Experimental Study of Graphene oxidation and resulting Transport Properties,” Y. Chabal (PI) and K. Cho Texas Gov. ARP 5/15/2008-5/14/2010, $150,000 Rejected “Variability and Reliability of Pentacene-based Organic Field-Effect-Transistors and Circuits,” E. Vogel (PI), K. Cho, R. Wallace NSF 9/1/2007-8/31/2010, $326,221 Rejected “MRI: Development of an Integrated Facility for In-Situ Characterization of Interfaces and Nanostructured Materials,” Y. Chabal (PI), R. Wallace, J. Kim, E. Vogel, K. Cho NSF 7/15/2008-7/14/2010, $259,813 Rejected “Multi-scale simulation methodology for interface adhesion phenomena ranging from Quantum Mechanics, Molecular Dynamics to Continuum Mechanics,” K. Cho (PI) SRC TI-Custom Funding 7/1/2008-6/30/2011, $360,000 Rejected “Multiscale modeling of biomass-to-fuel conversion catalysts,” K. Cho (PI) NSF 9/1/2008-8/31/2011, $360,000 Rejected

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“Multiscale Modeling of Biomass-to-Fuel Conversion Catalysts,” K. Cho (PI) ACS PRF 9/1/2008-8/31/2010, $100,000 Rejected “Nanoparticle-block copolymer composites for functional E&M application,” K. Cho (PI) CONTACT, white paper forwarded to Army Research Office 10/1/2008-9/30/2009, $100,000 Not invited for full proposal submission “Multiscale Modeling of Source/Drain Contacts to High-mobility Channel Materials,” K. Cho (PI), R. Wallace, E. Vogel GRC, white paper submitted 1/1/2009-12/31/2011, $600,000 Not invited to submit full proposal “Molecules to Materials,” T. Cundari (PI), C. Breneman, L. Brinson, K. Cho, A. Wilson NSF CCI 2/1/2009-1/31/2012, $1,500,000 Rejected “EFRC: Center for Energy Storage Research,” K. Cho (PI), Ken Balkus, Ray Baughman, Yves Chabal, John Ferraris, Jiyoung Kim, Moon Kim, Mat Halls, Anton Malko, Steve Nielsen, Eric Vogel, R.M. Wallace, DJ Yang, Anvar Zakhidov, Sam Mao, Shaochen Chen, Ying Shirley Meng, Cyrus Umrigar, Ken Tasaki DOE EFRC 9/1/2009-8/31/2014, $14,892,269.19 Rejected “Growth and characterization of graphene for nanoelectronic devices,” R. Ruoff (PI), S. Banerjee, E. Tutuc, R. Register, B. Sahu, R. Wallace, Y. Chabal, K. Cho, J. Kim MURI 6/1/2009-5/31/2014, $7,500,000 Rejected “Multiple Energy Level Solar Cells Utilizing Quantum Dots and Optimization Analysis,” W. Kirk (PI), K. Cho, M. Iovu, R. Kallman, M. Quvedo-Lopez NSF, pre-proposal submitted Period and amount not specified Discouraged for full proposal submission “Multiscale Modeling of Atomic Chain Catalyst: Application to Conversion of Syngas to Chemical and Fuels,” K. Cho (PI) NSF

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9/1/2009-8/31/2012, $300,000 Rejected “Rational Design of Thermochemical Catalysts for Biomass Conversion to Fuels and Chemicals,” K. Cho (PI), N. Kapur DOE 10/1/2009-9/20/2012, $732,637 Rejected “Targeting Selective Product Formation in Fischer-Tropsch Process: Rational Catalyst Design Approach,” N. Kapur (PI), K. Cho NIST TIP 1/1/2010-1/1/2013, $1,499,832 Rejected “Characterization and Processes for a Room Temperature Graphene Quantum Hall Resistance Standard,” Y. Chabal, K. Cho, J. Kim, M. Kim, E. Vogel (PI), R. Wallace, S. Banerjee, R. Ruoff, R. Tutuc NIST 6/1/2010-5/31/2013, $1,500,000 Rejected “Physical and Electrochemical Characterization and Modeling of Amorphous-Si Based Anode Materials and Solid-Electrolyte- Interphase for Li-Ion Batteries,” C. Hinkle (PI), Y. Chabal, K. Cho, M. Kim, M. Halls NIST 6/1/2010-5/31/2013, $1,499,765 Rejected “Rational Design, Characterization and Fabrication of Advanced Lithium Ion Battery Electrode Materials,” K. Cho (PI), C. Hinkle, M. Kim, Y. Chabal KITECH GMT 9/1/2010-8/31/2019, $1,862,000 Rejected “Fundamental Studies of Radiation Tolerance of Quantum Devices and Integrated Circuits for C-WMD,” W. Kirk (PI), R. Wilkins, K. Cho, G. Klimeck, C. Hinkle DTRA 7/1/2010-6/30/2013, $1,775,461 Rejected “Targeting Selective Product Formation in Fischer-Tropsch Proces,” N. Kapur (PI), K. Cho ARPA-E, 12/1/2009-12/1/2012, $2,824,852

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Rejected “In-situ studies of oxidation/reduction mechanisms for III-V surfaces with DFT validation,” R. Wallace (PI), K. Cho NHARP 8/1/2010-7/31/2012, $200,000 Rejected “Structure-Property-Performance of High Energy Density Capacitors,” S. Priya (PI), D. Viehland, T. E. Long, Daniel Qi Tan, R. Baughman, K. Cho, R. Kemp, S. Dirk, J. Blottman MURI, pre-proposal submitted on Dec. 10, 2009 7/1/2010-6/30/2014, $3,625,000 full proposal submission discouraged

“Rational Design of Layered Transition Metal Sulfide Catalysts: Application to Conversion of Syngas to Chemicals and Fuels,” K. Cho (PI) NSF 8/1/2010 – 7/31/2013, $300,000 Rejected “Rational Design, Material Synthesis, and Device Validation for Hybrid Ultracapacitors,” K. Cho (PI), Y. Chabal, B. Gnade DOE (ARPA-E concept paper submitted on Apr. 2, 2010) $1,050,800.94 Not invited for full proposal submission “NSF/DOE Thermoelectric Partnership: Development of Silicide-based System for Thermoelectric Power Generation for Vehicles,” B. Gnade (PI), K. Cho, M. Quevedo, C.Yu NSF-DOE 1/1/2011-12/31/2013, $1,074,857 Rejected “WPM: DFT Study of SiOx-C Composite Anode of Li ion Batteries” K. Cho (PI for subcontract) WPM (MKE, Korea) 10/1/2010 – 9/30/2013, $180,000 Rejected “MIRT: Solid Electrolytes with Optimized Internal Interfaces” KJ Cho (PI), Yves Chabal, Jiyoung Kim, Moon Kim, Bob Wallace, Chris Hinkle, Yang Shao-Horn, Caroline Ross, Ralph Greif, Sam Mao NSF (preproposal submitted in Sep. 2010) 8/1/2011 – 7/31/2014, $1,200,000 Not invited to submit full proposal

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“Fundamental Study of Wurtzite Chalcogenide-on-GaN HFETs and Quantum Devices for Electronic Systems Subject to Nuclear Radiation and EMP Attack” W. Kirk (PI), C. Hinkle, K. Cho DTRA (DoD) 1/1/2011–21.31.2015, $1,753,272 Rejected “Multiscale Modeling Study of Atomic Structures and Ion Transport in Solid Electrolytes” K. Cho (PI), N. Holzwarth, A. van Duin DOE-CNCSN (preproposal submitted on Oct. 1, 2010) 7/1/2011 – 6/30/2014, $825,000 Not invited to submit full proposal “Solid Electrolytes with Controled Doping for Li ion Superionic Conductivity” K. Cho (PI), S. Mao Varian Semiconductor Equipment Associates 1/1/2011 – 6/30/2011, $98,000 Rejected “SNM: Atomically Precise Nanophotonics” R. Wallace (PI), Y. Chabal, K. Cho, A. Malko, J. Vela NSF 7/1/2011 – 6/30/2015, $1,999,986 Under review “NEB: Electron-Tunneling Devices Utilizing Ultra-Suppression of Fermi-Dirac Thermal Smearing and Their Large-Scale Fabrication within the Framework of CMOS Fabrication Technology” S. Koh (PI), J. Kim, K. Cho NSF 9/1/2011 – 8/31/2015, $1,250,696 Under review “Rational Design of Ni Catalyst to suppress Coke Formation” K. Cho (PI) Samsung Advanced Institute of Technology 7/1/2011-6/30/2012, $85,000 Under review 35 Grants/contracts awarded (1997 – present): 22 at Stanford, 13 at UTD “Multiscale Simulations” K. Cho (PI) Terman Award from the Packard Foundation (Junior Faculty Career Award) 9/1/1997 - 8/31/2000, $225,000. “Nanomaterials Modeling” K. Cho as Seed Project PI (MRSEC PI: M. Beasley)

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NSF-MRSEC (Stanford CMR) 1/1/1998–12/31/1999, $40,000 “Multiscale Simulation Tool Development: Accelerated Molecular Dynamics” K. Cho (PI) LLNL (DOE Lab) 2/3/1999 - 9/30/2001, $90,000 “Coupled Interdiffusion and Misfit Stress Relaxation in Epitaxial Si/SiGe Heterostructures” P. McIntyre (PI) and K. Cho DOE 9/15/1999 - 9/14/2003, $640,000 (total) “First Principles Modeling of High-K Gate Dielectrics” K. Cho (PI) and R. Dutton SRC 1/1/2000 - 12/31/2002, $275,000 “Parallel Computer Cluster for Computational Biosciences” 5 Co-PIs (shared facility): K. Cho, S. Doniach, V. Pande, P. Habury, M. Levitt Stanford BioX 10/1/2000 – 12/31/2001, $900,000 (total). “Computational Nano-Engineering for Patterned Magnetic Nanostructures” H. Gao (PI), K. Cho, B. Clemens, W. Nix, D. Charn NSF 9/1/2000 - 8/31/2003, $1,680,000 (total). “Multiscale Dynamics: Coupling Continuum to Atomistics” K. Cho (PI) Sandia National Lab 6/1/2000 - 9/30/2002, $120,000. “Simulation-Based Prototyping of Solid-State Quantum Computers” K. Cho (PI) NASA 7/1/2001 - 5/31/2002, $42,719. “Simulation-based Design of Smart Nanotube Composite Materials” K. Cho (PI) NASA 10/1/00 - 9/30/02, $125,563. “Properties and Applications of Deformed Nanotubes” F. Pease (PI), K. Cho, H. Dai, T. Kenney, and K. Goodson NSF-NIRT 5/1/2002 - 4/30/2006, $1,300,000 (total).

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“Reliability of Ferroelectric Thin Films: A Systematic Study of Point Defect Phenomena and Local Electronic Structure Effects” P. McIntyre (PI) and K. Cho NSF 5/1/2002 - 4/30/2005, $900,000 (total). “Atomic Scale Studies of High-k Gate Dielectrics: Interfaces, Phase Changes and Dielectric Properties” P. McIntyre (PI), K. Cho, S. Stemmer SRC 8/1/2002 - 7/31/2005, $450,000 (total). “Molecular Recognition for Guided Self-Assembly of Polymers on Patterned Surfaces” K. Cho as Seed Project PI (Center PI: C. Frank) NSF-CPIMA 9/1/2002 – 8/31/2004, $75,000. “Multiscale Modeling for Computational Nano-Engineering of Metal Alloys” K. Cho as Co-PI (Center PI: D. Antomiadis) MARCO-MSD 9/1/2003 - 8/31/2006, $225,000. “Quantum transport Modeling of Nanostructure devices” K. Cho (PI) Intel Inc. 11/1/2003 - 10/31/2006, $360,000. “Nanoengineering of Hybrid Carbon Nanotube – Metal Nanocluster Composite Materials for Hydrogen Storage” K. Cho (PI), B. Clemens, H. Dai, A. Nilsson Stanford GCEP 1/1/04 - 12/31/06, $2,250,000 (total). “Nanotube electronics” K. Cho as Co-PI (Center PI: M. Lundstrom) NSF-NCN 8/1/2002 - 7/31/2006, $400,000. “Multiscale Modeling of Nanomaterials” K. Cho as Co-PI (Center PI: A. Zettl) NSF-NSEC (UC Berkeley COINS) 9/1/2004 - 8/31/2006, $60,000. “Multiscale Modeling of Scanning Probes” K. Cho as Co-PI (Center PI: K. Moler) NSF-NSEC (Stanford CPN) 9/1/2004 - 8/31/2006, $170,000. “Multiscale Modeling of High-K Gate Dielectric Materials”

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K. Cho as Co-PI (Center PI: Y. Nishi) Stanford CIS INMP 5/1/2003 – 8/31/2006, $300,000. “Coordinated Multi-scale Simulations and In situ Electron Microscopy to Elucidate the Mechanisms of Nanowire Formations” J. Yang (PI) and K. Cho NSF-NER 9/1/2005 - 8/31/2007, $100,000 (total). “Rational Design of MoS2 Catalysts for Syngas-to-Ethanol Conversion” K. Cho (PI) Nanostellar Inc. 10/1/2007 – 9/30/2008, $90,000. “UTD-Korea collaborative research on future semiconductor commercialization” K. Cho as Co-PI (Center PIs: M. Kim and J. Kim) KETI 9/1/2007-8/31/2011, $510,000. “South West Academy of Nanoelectronics” K. Cho as Co-PI (UTD PI: E. Vogel) NERC 4/1/2008-3/31/2011, $159,000. “Atomically Precise Manufacturing” K. Cho as Co-PI (UTD PI: R. Wallace), DARPA 4/1/2008-9/30/2012, $1,788,159 (total). “Fundamental Studies of Contact Metal/Bi2Te3 Interfaces for Thermoelectric Device Applications” B. Gnade (PI) and K. Cho The II-VI Incorporated Foundation 6/1/2008-5/31/2009, $105,590 (total). “Multi-scale simulation study of polymer nanocomposite mechanics: interface adhesion phenomena ranging from Quantum Mechanics, Molecular Dynamics to Continuum Mechanics” K. Cho (PI) Lockheed Martin 5/15/2008-12/31/2008, $90,000. “Multi-scale Simulation of Interface Adhesion in Polymer Nano-composites and Transport Properties of Carbon-based Electronic Systems,” K. Cho (PI) Lockheed Martin 1/15/2009-12/15/2009, $120,000. “Fundamental Studies of Contact Metal/Thermoelectric Interfaces in Thermoelectric Devices”

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B. Gnade (PI) and K. Cho The II-VI Incorporated Foundation 6/1/2009-5/31/2010, $105,350 (total). “Multisclae Modeling of CNT-Metal interface,” K. Cho (PI) Lockheed Martin 1/15/2010-6/15/20010, $30,000. “Fundamental study of novel contact / thermoelectric materials and interfaces,” B. Gnade (PI) and K. Cho The II-VI Incorporated Foundation 6/1/2010-5/31/2011, $94,000 (total). “Multiscale Modeling of Nanocomposite Materials,” K. Cho (PI) TRIP Matching Fund 7/27/2010, $60,000. “Multiscale Simulations of Nanomaterials for Battery, Ultracapacitor, and Hybrid Energy Storage Applications,” K. Cho as Co-PI (PI: R. Helms), DOE 8/1/2010-10/31/2011, $112,650. “Materials and Devices for Thermoelectric Power Generation” B. Gnade (PI) and K. Cho The II-VI Incorporated Foundation 6/1/2011-5/31/2012, $94,000 (total). Teaching: · Doctoral advisement: 12 PhDs completed (11 at Stanford, 1 at UTD), 3 current PhD students · Masters advisement: 18 Master students supervised (14 at Stanford, 4 at UTD) · Classroom teaching: 24 quarters at Stanford (1998-2006), 9 semesters at UTD (2007-2011) Doctoral advisement (12 PhDs completed): 11 at Stanford, 1 at UTD Atshushi Kawamoto, 2001 PhD in Electrical Engineering Department, Stanford University “Atomic Scale Modeling of Silicate Interface Properties for High-k Gate Dielectric Applications” Shu Peng, 2003 PhD in Mechanical Engineering Department, Stanford University “Simulation & Modeling of Carbon Nanotube Devices” Seongjun Park, 2003 PhD in Chemical Engineering Department, Stanford University “Multi-scale computational engineering of nanotechnology” P. Ramanarayanan, 2004 PhD in Mechanical Engineering Department, Stanford University

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“Hierarchical Multiscale Modeling of Solid State Diffusion” James O’Keeffe, 2004 PhD in Electrical Engineering Department, Stanford University “Transport in Nanotube Electronics and Organic Nanopores” Byeongchan Lee, 2005 PhD in Mechanical Engineering Department, Stanford University “Multiscale Study of Metal Nanoparticles” Ali Nojeh, 2006 PhD in Electrical Engineering Department, Stanford University “Controlled electron emission from single-walled carbon nanotubes” Bin Shan, 2006 PhD in Applied Physics Department, Stanford University “Computational Modeling of Nanotubes and Nanowires” Henry Liu, 2007 PhD in Mechanical Engineering Department, Stanford University “Computational Predictions for Mechanical/Electronic Properties and Applications of Unique Single Wall Carbon Nanotube Configurations” Jeong-hee Ha, 2008 PhD in Materials Science and Engineering Department, Stanford University “Atomic Scale Experimental and Theoretical Studies of High-k Gate Dielectric Interfaces” Paul Leu, 2008 PhD in Mechanical Engineering Department, Stanford University “Semiconductor Nanowires: Modeling, Experiments, and Implications” Weichao Wang, 2011 PhD in Materials Science and Engineering Department, UT Dallas “First Principles Study of III-V Surfaces and III-V/High-k Oxide Interfaces” Masters advisement (18 students supervised): 14 at Stanford, 4 at UTD Christopher Boutemy, 2000 Master in Mechanical Engineering Department, Stanford University John Jameson, 2000 Master in Applied Physics Department, Stanford University Gregory Lakatos, 2001 Master in Materials Science and Engineering Department, Stanford University Daniel Gardner, 2002 Master in Computer Science Department, Stanford University Michael Haverty, 2002 Master in Materials Science and Engineering Department, Stanford University Insuk Choi, 2003 Master in Materials Science and Engineering Department, Stanford University Gyuchang Jun, 2003 Master in Materials Science and Engineering Department, Stanford University Jangsuk Hyun, 2003 Master in Materials Science and Engineering Department, Stanford University

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Anton Dizhur, 2004 Master in Computer Science Department, Stanford University Sekwan Oh, 2004 Master in Materials Science and Engineering Department, Stanford University Annica Black-Schaffer, 2004 Master in Applied Physics Department, Stanford University Sara Zhao, 2005 Master in Mechanical Engineering Department, Stanford University Jason Sese, 2005 Master in Materials Science and Engineering Department, Stanford University Yongxing Shen, 2005 Master in Mechanical Engineering Department, Stanford University Sarath Inampudi, 2008 Master in Electrical Engineering Department, UT Dallas Jing Xue, 2009 Master in Physics Department, UT Dallas Cheng Gong, 2010 Master in Mechanical Engineering Department, UT Dallas Santosh K.C., 2011 Master in Physics Department, UT Dallas Classroom teaching (1998-2006 at Stanford and 2007-2011 at UT Dallas): 1998, Winter Quarter, ME244, Atomistic Simulations of Materials 1998, Spring Quarter, ME249, Quantum Nature of Materials 1998, Autumn Quarter, ME229, Physical Solid Mechanics 1999, Winter Quarter, ME244, Atomistic Simulations of Materials 1999, Spring Quarter, ME238B, Atomistic Analysis of Continuum Mechanics 1999, Summer Quarter, ME390, Engineering Quantum Mechanics 1999, Autumn Quarter, ME238A, Continuum Mechanics 2000, Winter Quarter, ME244, Atomistic Simulations of Materials 2000, Spring Quarter, ME249, Quantum Nature of Materials 2000, Autumn Quarter, ME238A, Continuum Mechanics 2001, Winter Quarter, ME238B, Atomistic Analysis of Continuum Mechanics 2001, Spring Quarter, ME229, Physical Solid Mechanics 2001, Autumn Quarter, ME244A, Computational Nanotechnology

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2002, Winter Quarter, ME244B, Atomistic Simulations 2002, Spring Quarter, ME249, Quantum Simulations 2002, Autumn Quarter, ME344A, Computational Nanotechnology 2003, Autumn Quarter, ME344A, Computational Nanotechnology 2004, Winter Quarter, ME344B, Nanomaterials Modeling 2004, Spring Quarter, ME240, Introduction to Nanotechnology 2004, Autumn Quarter, ME329, Physical Solid Mechanics 2005, Winter Quarter, ME344A, Computational Nanotechnology 2005, Spring Quarter, ME344B, Nanomaterials Modeling 2006, Winter Quarter, ME344A, Computational Nanotechnology 2006, Spring Quarter, ME344B, Nanomaterials Modeling

2007, Spring Semester, MSEN6319, Quantum Mechanics for Materials Scientists 2007, Fall Semester, PHYS5377, Computational Physics of Nanomaterials 2008, Spring Semester, MSEN6319, Quantum Mechanics for Materials Scientists 2008, Fall Semester, PHYS5371, Solid State Physics 2009, Spring Semester, MSEN6319, Quantum Mechanics for Materials Scientists 2009, Fall Semester, MSEN5377, Computational Physics of Nanomaterials 2010, Spring Semester, MSEN6319, Quantum Mechanics for Materials Scientists 2010, Fall Semester, MSEN5320, Materials Science for Sustainable Energy 2011, Spring Semester, MSEN6319, Quantum Mechanics for Materials Scientists Other: Service to research community: 1997 – present Referees for Physical Review Letters, Physical Review A, B and E, Material Science and Engineering, International Journal of Solids and Structures, Journal of Biochemistry, and Computational Materials Science, J. Appl. Phys., Appl. Phys. Lett., J. Phys. Chem., Surf. Sci.

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1997 – present Proposal reviewer for NSF, DOE 1999 Symposium Organizers/Chairs for MRS 99 Fall Meeting 1999 Symposium Organizers/Chairs for USNCCM 99 Meeting 2000 Symposium Organizers for NSF Nanomechanics Workshop 2000 Symposium Organizers for ICES 2000 Meeting 2000 Symposium Organizers/Chairs for MRS 2000 Fall Meeting 2001 – 2003 Technical Chair of Nanotechnology Committee in the U.S. Association of Computational Mechanics 2001 Members of Editorial Boards of Modeling and Simulation in Materials Science and Engineering 2002 Symposium Organizers for WCCM 2002 Meeting 2002 Members of Editorial Boards of Computer Modeling in Engineering & Science 2003 Members of Editorial Boards of Journal of Computational and Theoretical Nanoscience 2007-2011 Organizer of the KIAS Electronic Structure Calculation Workshop 2008 Vice President, North Texas Chapter of Korean Society Scientists and Engineers 2009-2010 Organizer of the 1st and 2nd Graphene Research Workshop 2010 Organizer of the IUMRS meeting Symposium “Computational Design for Next Generation Electronic Materials” 2011

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Organizer of the 3rd Annual Coordination Meeting of the DOE computational materials and chemical science network (CMCSN) on “Predictive modeling of the growth and properties of energy relevant thin film and nanostructures” Service to University: 2006-2007 Member of Nanoelectronics Chair Search Committee 2006-2007 Member of Physics Faculty Search Committee 2007-2008 Member of Distance Learning Committee 2008-present MSEN SACS and course monitor 2008 MSEN graduate director 2008-present MSEN graduate student advising committee 2008-2011 Chair of MSEN curriculum committee 2008-present MSEN graduate exam committee 2008-2010 Member of Materials Science & Engineering Faculty Search Committee 2008 Member of ad hoc tenure promotion committee for Prof. Eric Vogel 2008-2010 Member of Academic Affairs Committee of Engineering School 2008-2010 Co-Chair of Research Strategic Planning Sub-Committee of AAC 2009-2011 Member of MSEN Personnel Review Committee 2010 Member of ad hoc tenure promotion committee for Prof. Steve Nielsen