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Dr. Yousung Jung
James W. Glanville Postdoctoral Fellow Marcus Group Noyes Laboratory of Chemical Physics California Institute of Technology Office Location: 148 Noyes |
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Dr. Yousung Jung
James W. Glanville Postdoctoral Fellow Marcus Group Noyes Laboratory of Chemical Physics California Institute of Technology Office Location: 148 Noyes |
| Education |
| University of California, Berkeley, Ph. D. in Theoretical Chemistry, 2005 Iowa State University, M.S. in Chemistry (minor in Applied Mathematics), 2001 Seoul National University, M.S. in Chemistry, 1999 Seoul National University, B.S. in Oceanography, 1997 |
| Awards |
| James W. Glanville Postdoctoral Fellow, 2007- Samsung Humantech Thesis award, bronze medal, 2006 IBM Graduate student award in Computational Chemistry (ACS Theory subdivision), 2005 |
| Research interests |
| Dynamical effects in the enzymatic proton transfer reaction Theory of proton transfer in enzyme catalysis "On-water" catalysis at the hydrophobic interface |
| Auxiliary basis expansions for fast correlated ab initio methods Electronic structure studies of diradicaloid molecules (Ph.D. dissertation: "Correlated ab initio methods for the study of large molecules: Theory, algorithms, and applications", with Martin Head-Gordon) |
| Publications | |
| [24] | Effects of ligands and spin-polarization on the preferred conformation of distannynes [pdf] W. Kurlancheek, Y. Jung, and M. Head-Gordon Dalton Trans 4428 (2008) |
| [23] | On the theory of organic catalysis "on water" [pdf] Y. Jung and R. A. Marcus J Am Chem Soc 129, 5492 (2007) |
| [22] | Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity [pdf] Y. Jung, Y. Shao, and M. Head-Gordon J Comp Chem 28, 1953 (2007) |
| [21] | Phenol-benzene complexation dynamics: Quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy [pdf] K. Kwac, C. Lee, Y. Jung, J. Han, K. Kwak, J. Zhengg, M. D. Fayer, and M. Cho J Chem Phys 125, 244508 (2006) |
| [20] | Advances in methods and algorithms in a modern quantum chemistry program package [pdf] Y. Shao, L. F. Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T.B. Gilbert, L. V. Slipchenko, S. V. Levchenko, D. P. ONeill, R. A. DiStasio Jr, R. C. Lochan, T. Wang, G. J.O. Beran, N. A. Besley, J. M. Herbert, C. Y. Lin, T. Van Voorhis, S. H. Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. Austin, J. Baker, E. F. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S. R. Gwaltney, A. Heyden, S. Hirata, C.-P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W. Z. Liang, T. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. M. Rhee, J. Ritchie, E. Rosta, C. D. Sherrill, A. C. Simmonett, J. E. Subotnik, H. L. Woodcock III, W. Zhang, A. T. Bell, A. K. Chakraborty, D. M. Chipman, F. J. Keil, A. Warshel, W. J. Hehre, H. F. Schaefer III, J. Kong, A. I. Krylov, P. M. W. Gill and M. Head-Gordon Phys Chem Chem Phys 8, 3172 (2006) (officail citation for Q-CHEM 3.0) |
| [19] | A fast correlated electronic structure method for computing interaction energies of van der Waals complexes applied to the fullerene-porphyrin dimer [pdf] Y. Jung and M. Head-Gordon Phys Chem Chem Phys 8, 2831 (2006) |
| [18] | Ab initio quantum chemistry calculations on the electronic structure of heavier alkyne congeners: Diradical character and reactivity [pdf] Y. Jung, M. Brynda, P. Power, and M. Head-Gordon J Am Chem Soc 128, 7185 (2006) |
| [17] | A fast implementation of perfect pairing and imperfect pairing using the resolution of the identity approximation [pdf] A. Sodt, G. J. O. Beran, Y. Jung, and M. Head-Gordon J Chem Theor Comp 2, 300 (2006) |
| [16] | Fast electronic structure methods for strongly-correlated molecular systems [pdf] M Head-Gordon, G. J. O. Beran, A. Sodt, and Y. Jung J Phys: Conference Series (SciDAC) 16, 232 (2005) |
| [15] | A resolution-of-the-identity implementation of the local triatomics-in-molecules model for second-order Møller-Plesset perturbation theory with application to alanine tetrapeptide conformational energies [pdf] R. DiStasio, Y. Jung, and M. Head-Gordon J Chem Theor Comp 1, 862 (2005) |
| [14] | Scaled opposite spin second order Møllet-Plesset theory with improved physical description of long-range dispersion interactions [pdf] R. Lochan, Y. Jung, and M. Head-Gordon J Phys Chem A 109, 7598 (2005) |
| [13] | Auxiliary basis expansions for large-scale electronic structure calculations [pdf] Y. Jung, A. Sodt, P. M. W. Gill, and M. Head-Gordon Proc Natl Acad Sci 102, 6692 (2005) |
| [12] | Cycloaddition of benzene on Si(100) and its surface conversions [pdf] Y. Jung and M. S. Gordon J Am Chem Soc 127, 3131 (2005) |
| [11] | Intermolecular π-to-π bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerization [pdf] D. Small, V. Zaitsev, Y. Jung, S. V. RosoKha, M .Head-Gordon, and J. K. Kochi J Am Chem Soc 126,13850 (2004) |
| [10] | Scaled opposite spin second order Møller-Plesset correlation energy: An economical electronic structure method [pdf] Y. Jung, R. Lochan, T. Dutoi, and M. Head-Gordon J Chem Phys 121, 9793 (2004) |
| [9] | Wavefunction analysis: An orbital based approach to multiradical character [pdf] T. Dutoi, Y. Jung, and M. Head-Gordon J Phys Chem A 108, 10270 (2004) |
| [8] | What is the nature of the long bond in the [TCNE]22- dimer? [pdf] Y. Jung and M. Head-Gordon Phys Chem Chem Phys (communication) 6, 2008 (2004) |
| [7] | 2π aromaticity of 4-membered ring 6π-electron systems: N2S2 and Li2C4H4 [pdf] Y. Jung, T. Heine, P.v.R. Schleyer, and M. Head-Gordon J Am Chem Soc 126, 3132 (2004) |
| [6] | Are both symmetric and buckled dimers on Si(100) minima? Density functional and multireference perturbation theory calculations [pdf] Y. Jung, Y. Shao, M. S. Gordon, D. Doren, and M. Head-Gordon J Chem Phys 119, 10917 (2003) |
| [5] | Controlling the extent of diradical character by utilizing neighboring group interactions [pdf] Y. Jung and M. Head-Gordon J Phys Chem A 107, 7475 (2003) |
| [4] | How diradicaloid is a stable diradical? [pdf] Y. Jung and M. Head-Gordon ChemPhysChem 4, 522 (2003) |
| [3] | An ab inito study of the structure of two-, three-, and five-dimer silicon clusters: An approach to the Si(100) surface [pdf] Y. Jung, Y. Akinaga, K. D. Jordan, and M. S. Gordon Theor Chem Acc 109, 268 (2003) |
| [2] | Adsorption of water on the Si(100) surface: An ab initio and QM/MM cluster study [pdf] Y. Jung, C. H. Choi, and M. S. Gordon J Phys Chem B 105, 4039 (2001) |
| [1] | Guest-induced binding site organization of self-assembled Pd(II) complexes G. Ma, Y. Jung, D. S. Chung, and J.-I. Hong Tetrahedron Lett 40, 531 (1999) |
| Last updated: Mar-30-2007 by Yousung Jung |