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Lee, Eok-Kyun (이억균)
교수, Department of Chemistry(화학과)
Research Area
Physical Chemistry, Theoretical Chemistry, Computational Chemistry
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    NO Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date)
    1
    Effects of Pooling Operations on Prediction of Ligand Rotation-Dependent Protein-Ligand Binding in 3D Graph Convolutional Network

    Kim, Yeji; Kim, Jihoo; Kim, Won June; et al, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.42, no.5, pp.744 - 747, 2021-05

    2
    Layer-wise relevance propagation of InteractionNet explains protein-ligand interactions at the atom level

    Cho, Hyeoncheol; Lee, Eok-Kyunresearcher; Choi, Insung S.researcher, SCIENTIFIC REPORTS, v.10, no.1, 2020-12

    3
    uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding

    Kim, Minho; Kim, Won June; Gould, Timothy; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.142, no.5, pp.2346 - 2354, 2020-02

    4
    Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe16N2 and its alloys: comparison with the other L1(0) alloys

    Han, Myung Hoon; Kim, Won June; Lee, Eok Kyunresearcher; et al, JOURNAL OF PHYSICS-CONDENSED MATTER, v.32, no.3, 2020-01

    5
    Density-dependent finite system-size effects in equilibrium molecular dynamics estimation of shear viscosity: Hydrodynamic and configurational study

    Kim, Kang-Sahn; Kim, Changho; Karniadakis, George Em; et al, JOURNAL OF CHEMICAL PHYSICS, v.151, no.10, 2019-09

    6
    Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT plus U Methods

    Kim, Won June; Han, Myung Hoon; Lebegue, Sebastian; et al, FRONTIERS IN CHEMISTRY, v.7, 2019-02

    7
    Nature of intrinsic uncertainties in equilibrium molecular dynamics estimation of shear viscosity for simple and complex fluids

    Kim, Kang-Sahn; Han, Myung Hoon; Kim, Changho; et al, JOURNAL OF CHEMICAL PHYSICS, v.149, no.4, 2018-07

    8
    First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on Compression Twinning Deformation Processes

    Kim, Won June; Han, Kyeong Hwan; Lee, Young Joo; et al, METALS AND MATERIALS INTERNATIONAL, v.24, no.4, pp.720 - 729, 2018-07

    9
    Cluster Expansion Method for Simulating Realistic Size of Nanoparticle Catalysts with an Application in CO2 Electroreduction

    Eom, Taedaehyeong; Kim, Won June; Lim, Hyung-Kyu; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.122, no.16, pp.9245 - 9254, 2018-04

    10
    Molecular hydrodynamics: Vortex formation and sound wave propagation

    Han, Kyeong Hwan; Kim, Changho; Talkner, Peter; et al, JOURNAL OF CHEMICAL PHYSICS, v.148, no.2, 2018-01

    11
    Nature of self-diffusion in two-dimensional fluids

    Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho; et al, NEW JOURNAL OF PHYSICS, v.19, 2017-12

    12
    Failure of Density Functional Dispersion Correction in Metallic Systems and Its Possible Solution Using a Modified Many-Body Dispersion Correction

    Kim, Won June; Kim, Minho; Lee, Eok-Kyunresearcher; et al, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.7, no.16, pp.3278 - 3283, 2016-08

    13
    Tuned Chemical Bonding Ability of Au at Grain Boundaries for Enhanced Electrochemical CO2 Reduction

    Kim, Kang-Sahn; Kim, Won June; Lim, Hyung Kyu; et al, ACS CATALYSIS, v.6, no.7, pp.4443 - 4448, 2016-07

    14
    Recent development of atom-pairwise van der waals corrections for density functional theory: From molecules to solids

    Kim, Minho; Kim, Won-June; Lee, Eok Kyunresearcher; et al, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.598 - 607, 2016-04

    15
    First-Principles Study of the alpha-beta Phase Transition of Ferroelectric Poly(vinylidene difluoride): Observation of Multiple Transition Pathways

    Kim, Won June; Han, Myung Hoon; Shin, Young-Han; et al, JOURNAL OF PHYSICAL CHEMISTRY B, v.120, no.12, pp.3240 - 3249, 2016-03

    16
    Normal versus anomalous self-diffusion in two-dimensional fluids: Memory function approach and generalized asymptotic Einstein relation

    Shin, Hyun Kyung; Choi, Bongsik; Talkner, Peter; et al, JOURNAL OF CHEMICAL PHYSICS, v.141, no.21, 2014-12

    17
    Density functional study of alpha-beta phase transition of polyvinylidene difluoride

    Heo, Won-Joon; Kim, Won-June; Shin, Young-Han; et al, PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, v.6, no.5, pp.217 - 219, 2012-05

    18
    Thermodynamics of d-dimensional hard sphere fluids confined to micropores

    Kim, Hyungjunresearcher; Goddard, William A.; Han, Kyeong Hwan; et al, JOURNAL OF CHEMICAL PHYSICS, v.134, no.11, 2011-03

    19
    Fast Domain Wall Switching in a Thin Ferroelectric Polymer Layer

    Son, Jong Yeog; Shin, Yun-Sok; Shin, Young-Han; et al, ELECTROCHEMICAL AND SOLID STATE LETTERS, v.14, no.1, pp.1 - 3, 2011

    20
    Brownian motion from molecular dynamics

    Shin, Hyun Kyung; Kim, Changho; Talkner, Peter; et al, CHEMICAL PHYSICS, v.375, no.2-3, pp.316 - 326, 2010-10
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