Kwang S. Kim

Kwang S. Kim is currently a Professor of chemistry, an Adjunct Professor in physics, and the Director of the Center for Superfunctional Materials of Pohang University of Science and Technology (POSTECH) in South Korea. He received his B.S. and M.S. degrees in applied chemistry from Seoul National University and another M.S. degree in physics from Korea Advanced Institute of Science and Technology. He obtained his Ph.D. degree from the University of California, Berkeley. He spent a few years as an IBM Postdoctoral Fellow and as a Research Assistant Professor at Rutgers University. He joined POSTECH in 1988. He is a Fellow of the Korea Academy of Science and Technology. He has been editorial board members of Journal of Physical Chemistry (A, B, C), Journal of Molecular Structure: THEOCHEM, Journal of Computational Chemistry, and Chemistry – An Asian Journal. He has been conference board members of the World Association of Theoretically Oriented Chemistry and the Asian Pacific Association of Theoretical and Computational Chemistry. His fields of research include investigations of density functional theory, ab initio calculations, nonequilibrium Green function theory, Monte Carlo and molecular dynamics simulations, first principles ground and excited-state molecular dynamics simulations, intermolecular interactions, clusters, molecular recognition, receptors, drug design, bioinformatics, biomolecules, nanomaterials, molecular devices, spintronics, and quantum computing.

Biography Updated on 25 January 2008

Personal Home Page

http://csm.postech.ac.kr

Articles in Scholarly Journals [Incomplete List]

  1. Charge-Transfer-to-Solvent-Driven Dissolution Dynamics of I-(H2O)2-5 upon Excitation: Excited-State ab Initio Molecular Dynamics Simulations
    Journal of the American Chemical Society, vol. 130, no. 1, pp. 103–112, 2008
  2. Anthracene Derivatives Bearing Thiourea and Glucopyranosyl Groups for the Highly Selective Chiral Recognition of Amino Acids: Opposite Chiral Selectivities from Similar Binding Units
    The Journal of Organic Chemistry, vol. 73, no. 1, pp. 301–304, 2008
  3. Ground state structures and excited state dynamics of pyrrole-water complexes: Ab initio excited state molecular dynamics simulations
    The Journal of Chemical Physics, vol. 128, no. 3, p. 034304, 2008
  4. Structures, energetics, and spectra of aqua-cesium (I) complexes: An ab initio and experimental study
    The Journal of Chemical Physics, vol. 126, no. 7, p. 074302, 2007
  5. Ab initio study of hydrated potassium halides KX(H[sub 2]O)[sub 1–6] (X=F,Cl,Br,I)
    The Journal of Chemical Physics, vol. 126, no. 14, p. 144311, 2007
  6. Hydrated hydride anion clusters
    The Journal of Chemical Physics, vol. 127, no. 16, p. 164311, 2007
  7. Hydrogen detachment of the hexahydrated hydroiodic acid upon attaching an excess electron
    Molecular Physics, vol. 105, no. 19, pp. 2577–2581, 2007
  8. Designing Ionophores and Molecular Nanotubes Based on Molecular Recognition
    Supramolecular Chemistry, vol. 19, no. 4, pp. 321–332, 2007
  9. Negative differential resistance of carbon nanotube electrodes with asymmetric coupling phenomena
    Physical Review B, vol. 76, no. 3, 2007
  10. How Can We Make Stable Linear Monoatomic Chains? Gold-Cesium Binary Subnanowires as an Example of a Charge-Transfer-Driven Approach to Alloying
    Physical Review Letters, vol. 98, no. 7, 2007
  11. Immunogenicity of a DNA prime and recombinant adenovirus boost regime significantly varies between rhesus macaques of Chinese and Indian origins
    Journal of Medical Primatology, vol. 36, no. 4-5, pp. 195–205, 2007
  12. Understanding Clusters toward the Design of Functional Molecules and Nanomaterials
    Bulletin of the Chemical Society of Japan, vol. 80, no. 8, pp. 1437–1450, 2007
  13. De novo design approach based on nanorecognition toward development of functional molecules/materials and nanosensors/nanodevices
    Pure and Applied Chemistry, vol. 79, no. 6, pp. 1057–1075, 2007
  14. 2-Dimensional Analytic Approach for Anion Differentiation with Chromofluorogenic Receptors
    The Journal of Organic Chemistry, vol. 72, no. 14, pp. 5461–5464, 2007
  15. Understanding of Assembly Phenomena by Aromatic-Aromatic Interactions: Benzene Dimer and the Substituted Systems
    Journal of Physical Chemistry A, vol. 111, no. 18, pp. 3446–3457, 2007
  16. Ring Closure Reaction Dynamics of Diarylethene Derivatives in Solution
    Journal of Physical Chemistry A, vol. 111, no. 37, pp. 8910–8917, 2007
  17. Cation-p-Anion Interaction: A Theoretical Investigation of the Role of Induction Energies
    Journal of Physical Chemistry A, vol. 111, no. 32, pp. 7980–7986, 2007
  18. Eigen and Zundel Forms of Small Protonated Water Clusters: Structures and Infrared Spectra
    Journal of Physical Chemistry A, vol. 111, no. 42, pp. 10692–10702, 2007
  19. Quinoxaline-Imidazolium Receptors for Unique Sensing of Pyrophosphate and Acetate by Charge Transfer
    Organic Letters, vol. 9, no. 3, pp. 485–488, 2007
  20. Rhodamine-Based Hg2+-Selective Chemodosimeter in Aqueous Solution: Fluorescent OFF-ON
    Organic Letters, vol. 9, no. 5, pp. 907–910, 2007
  21. Towards Molecular Magnetic Switching with an Electric Bias
    Angewandte Chemie International Edition, vol. 46, no. 40, pp. 7640–7643, 2007
  22. A Color Version of the Hinsberg Test: 1°–3° Amine Indicator
    Chemistry - A European Journal, vol. 13, no. 11, pp. 3082–3088, 2007
  23. Extended Drude model analysis of noble metals
    physica status solidi (b), vol. 244, no. 4, pp. 1354–1362, 2007
  24. New imidazolium systems bearing two pyrene groups as fluorescent chemosensors for anions and anion induced logic gates
    Tetrahedron Letters, vol. 48, no. 1, pp. 169–172, 2007
  25. Diameter- and Length-Dependent Volume Plasmon Excitation of Bismuth Nanorods Investigated by Electron Energy Loss Spectroscopy
    Chemistry of Materials, vol. 19, no. 16, pp. 3912–3916, 2007
  26. Inorganic Chemistry, vol. 45, no. 20, pp. 8062–8069, 2006
  27. Homology modeling and molecular dynamics study of West Nile virus NS3 protease: A molecular basis for the catalytic activity increased by the NS2B cofactor
    Proteins: Structure, Function, and Bioinformatics, vol. 65, no. 3, pp. 692–701, 2006
  28. Interactions of Neutral and Cationic Transition Metals with the Redox System of Hydroquinone and Quinone: Theoretical Characterization of the Binding Topologies, and Implications for the Formation of Nanomaterials
    Chemistry - A European Journal, vol. 12, no. 18, pp. 4885–4892, 2006
  29. Magic and Antimagic Protonated Water Clusters: Exotic Structures with Unusual Dynamic Effects
    Angewandte Chemie International Edition, vol. 45, no. 23, pp. 3795–3800, 2006
  30. Magic and Antimagic Protonated Water Clusters: Exotic Structures with Unusual Dynamic Effects
    Angewandte Chemie, vol. 118, no. 23, pp. 3879–3884, 2006
  31. Homology modeling and molecular dynamics study of chorismate synthase from Shigella flexneri
    Journal of Molecular Graphics and Modelling, vol. 25, no. 4, pp. 434–441, 2006
  32. Fluorescent imidazolium receptors for the recognition of pyrophosphate
    Tetrahedron, vol. 62, no. 25, pp. 6065–6072, 2006
  33. Imidazolium receptors for the recognition of anions
    Chemical Society Reviews, vol. 35, no. 4, p. 355, 2006
  34. The Journal of Physical Chemistry B, vol. 110, no. 8, pp. 3808–3815, 2006
  35. Journal of Physical Chemistry A, vol. 110, no. 25, pp. 7918–7924, 2006
  36. Journal of Physical Chemistry A, vol. 110, no. 45, pp. 12484–12493, 2006
  37. Journal of Physical Chemistry B, vol. 110, no. 43, pp. 21639–21642, 2006
  38. Journal of the American Chemical Society, vol. 128, no. 16, pp. 5416–5426, 2006
  39. Magic Structures and Quantum Conductance of [110] Silver Nanowires
    Physical Review Letters, vol. 96, no. 9, 2006
  40. Effect of dimensionality on transition-metal elements of groups 3–7
    Physical Review B, vol. 74, no. 17, 2006
  41. Ab initio study of hydrated sodium halides NaX(H[sub 2]O)[sub 1–6] (X=F, Cl, Br, and I)
    The Journal of Chemical Physics, vol. 124, no. 2, p. 024321, 2006
  42. Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001)
    The Journal of Chemical Physics, vol. 124, no. 2, p. 024716, 2006
  43. Electric field effects on water clusters (n=3–5): Systematic ab initio study of structures, energetics, and transition states
    The Journal of Chemical Physics, vol. 124, no. 9, p. 094308, 2006
  44. Quantum size effects in the volume plasmon excitation of bismuth nanoparticles investigated by electron energy loss spectroscopy
    Applied Physics Letters, vol. 88, no. 14, p. 143106, 2006
  45. Pseudorotation-driven dynamical structure of the tropyl radical
    The Journal of Chemical Physics, vol. 125, no. 16, p. 164332, 2006
  46. Structure and spectral features of H[sup +](H[sub 2]O)[sub 7]: Eigen versus Zundel forms
    The Journal of Chemical Physics, vol. 125, no. 23, p. 234305, 2006
  47. Theoretical studies on hydroquinone-benzene clusters
    The Journal of Chemical Physics, vol. 122, no. 1, p. 014305, 2005
  48. Origin of the magic numbers of water clusters with an excess electron
    The Journal of Chemical Physics, vol. 122, no. 4, p. 044309, 2005
  49. Hydrated copper and gold monovalent cations: Ab initio study
    The Journal of Chemical Physics, vol. 122, no. 6, p. 064314, 2005
  50. Role of molecular orbitals of the benzene in electronic nanodevices
    The Journal of Chemical Physics, vol. 122, no. 9, p. 094706, 2005
  51. Why the hydration energy of Au[sup +] is larger for the second water molecule than the first one: Skewed orbitals overlap
    The Journal of Chemical Physics, vol. 123, no. 7, p. 074328, 2005
  52. Dissolution nature of the lithium hydroxide by water molecules
    The Journal of Chemical Physics, vol. 123, no. 8, p. 084321, 2005
  53. Extracting subnanometer single shells from ultralong multiwalled carbon nanotubes
    Proceedings of the National Academy of Sciences, vol. 102, no. 40, pp. 14155–14158, 2005
  54. Anomalous behavior of mercury in one dimension: Density-functional calculations
    Physical Review B, vol. 71, no. 11, 2005
  55. Journal of the American Chemical Society, vol. 127, no. 44, pp. 15336–15337, 2005
  56. The Journal of Organic Chemistry, vol. 70, no. 7, pp. 2651–2659, 2005
  57. The Journal of Physical Chemistry A, vol. 109, no. 8, pp. 1720–1728, 2005
  58. The Journal of Physical Chemistry B, vol. 109, no. 15, pp. 7067–7072, 2005
  59. The Journal of Physical Chemistry A, vol. 109, no. 42, pp. 9419–9423, 2005
  60. Anthracene derivatives bearing two urea groups as fluorescent receptors for anions
    Tetrahedron, vol. 61, no. 19, pp. 4545–4550, 2005
  61. Theoretical Investigation of Normal to Strong Hydrogen Bonds
    Structural Chemistry, vol. 16, no. 3, pp. 187–202, 2005
  62. A Calix[4]imidazolium[2]pyridine as an Anion Receptor
    Angewandte Chemie International Edition, vol. 44, no. 19, pp. 2899–2903, 2005
  63. A Calix[4]imidazolium[2]pyridine as an Anion Receptor
    Angewandte Chemie, vol. 117, no. 19, pp. 2959–2963, 2005
  64. Theoretical insights into the mechanism of acetylcholinesterase-catalyzed acylation of acetylcholine
    Journal of Computational Chemistry, vol. 26, no. 6, pp. 606–611, 2005
  65. Study of interactions of various ionic species with solvents toward the design of receptors
    Theoretical Chemistry Accounts, vol. 115, no. 2-3, pp. 127–135, 2005
  66. Biochemistry, vol. 44, no. 20, pp. 7490–7496, 2005
  67. Journal of the American Chemical Society, vol. 127, no. 12, pp. 4530–4537, 2005
  68. Journal of the American Chemical Society, vol. 126, no. 7, pp. 2186–2193, 2004
  69. Journal of the American Chemical Society, vol. 126, no. 29, pp. 8892–8893, 2004
  70. Local-field enhancement of spontaneous decay in nanosystems: some estimations for dielectric particles
    Applied Physics B, vol. 79, no. 7, pp. 863–870, 2004
  71. Interplay of local structure and magnetism in Co-doped TiO2 anatase
    Solid State Communications, vol. 129, no. 11, pp. 741–746, 2004
  72. Solvent molecules trapped in supramolecular organic nanotubes: a combined solid-state NMR and DFT study
    Chemical Physics Letters, vol. 388, no. 1-3, pp. 164–169, 2004
  73. The Journal of Physical Chemistry A, vol. 108, no. 15, pp. 2949–2958, 2004
  74. The Journal of Physical Chemistry A, vol. 108, no. 7, pp. 1250–1258, 2004
  75. The Journal of Physical Chemistry B, vol. 108, no. 43, pp. 16723–16726, 2004
  76. The Journal of Physical Chemistry B, vol. 108, no. 15, pp. 4927–4936, 2004
  77. The Journal of Organic Chemistry, vol. 69, no. 2, pp. 581–583, 2004
  78. Nested Fermi surfaces, optical peaks, and laser-induced structural transition in Al
    Physical Review B, vol. 69, no. 3, 2004
  79. Metastable phase of symmetric dimers on Si(001)
    Physical Review B, vol. 69, no. 12, 2004
  80. Nanowires for spintronics: A study of transition-metal elements of groups 8–10
    Physical Review B, vol. 69, no. 19, 2004
  81. Atomic structure and energetics of adsorbed water on the NaCl(001) surface
    Physical Review B, vol. 69, no. 23, 2004
  82. Solvent rearrangement for an excited electron of the iodide-water pentamer
    Molecular Physics, vol. 102, no. 23-24, pp. 2485–2489, 2004
  83. Dissociation chemistry of hydrogen halides in water
    The Journal of Chemical Physics, vol. 120, no. 20, p. 9524, 2004
  84. Aqua dissociation nature of cesium hydroxide
    The Journal of Chemical Physics, vol. 121, no. 1, p. 204, 2004
  85. p-benzoquinone-benzene clusters as potential nanomechanical devices: A theoretical study
    The Journal of Chemical Physics, vol. 121, no. 2, p. 841, 2004
  86. Insights into the structures, energetics, and vibrations of aqua-rubidium(I) complexes: Ab Initio study
    The Journal of Chemical Physics, vol. 121, no. 7, p. 3108, 2004
  87. Structures, energetics, and spectra of hydrated hydroxide anion clusters
    The Journal of Chemical Physics, vol. 121, no. 10, p. 4657, 2004
  88. Dissolution of a base (RbOH) by water clusters
    The Journal of Chemical Physics, vol. 121, no. 10, p. 4665, 2004
  89. HF(H[sub 2]O)[sub n] clusters with an excess electron: Ab initio study