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Kwak, Sang Kyu (곽상규)

Department
School of Energy and Chemical Engineering(에너지화학공학과)
Website
http://home.unist.ac.kr/professor/skkwak/
Lab
Kyu’s MolSim Lab @ UNIST (분자 모델링 및 전산모사 연구실)
Research Keywords
다차원 분자모델링 및 전산모사, 밀도범함수이론, 분자동역학, 몬테카를로 전산모사, 조립질 전산모사, 연속제 전산모사, 열역학, 통계역학, 분자물리, 다차원분자모델링, Multiscale Molecular Modeling and Simulation, Density Functional Theory, Molecular Dynamics, Monte Carlo Simulation, Coarse-grained Simulation, Continuum Simulation, Thermodynamics, Statistical Mechanics, Molecular Physics
Research Interests
Multiscale molecular modeling and simulation is being used in a variety of research fields, owing to the advantage of being able to describe macroscopic phenomena through investigating molecular behavior at the atomic level. In conjunction with the development of computation technology and computer performance, the development of computer simulation research methodology is accelerating, and is particularly actively used in research fields related to nano and biomaterials. Through computer simulation theories and techniques that have been developed over the past decades, precise observations of phenomena occurring at the atomic scale can be gradually expanded to the level of experimental special and temporal scale. Thus, the current research trend is changing from experiment-oriented research to collaboration with computational research or even leading research prior to experiment. In line with these research trends, our lab conducts various theoretical researches in multidimensional levels on a wide range of topics such as energy and materials.
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Issue DateTitleAuthor(s)TypeViewAltmetrics
2014-03Effects of LSPR of Gold Nanospheres by Surface Vacancies and Protruding TipsLee, Tae Kyung; Kwak, Sang KyuARTICLE677 Effects of LSPR of Gold Nanospheres by Surface Vacancies and Protruding Tips
2014-02Multi-core MgO NPs@C core-shell nanospheres for selective CO2 capture under mild conditionsKim, Tae Kyung; Lee, Kyung Joo; Yuh, Junhan, et alARTICLE701 Multi-core MgO NPs@C core-shell nanospheres for selective CO2 capture under mild conditions
2014-01Direct simulation monte carlo for dense hard spheresChao, Liu; Kwak, Sang Kyu; Ansumali, SantoshARTICLE592 Direct simulation monte carlo for dense hard spheres
2013-12Processing and mechanical characterization of ZnO/polyester woven carbon-fiber composites with different ZnO concentrationsKong, Kyungil; Deka, Biplab K.; Kwak, Sang Kyu, et alARTICLE757 Processing and mechanical characterization of ZnO/polyester woven carbon-fiber composites with different ZnO concentrations
2013-11On the freezing and structure of hard spheres under spherical confinementHuang, Huan Cong; Yoon, Yong Jin; Kwak, Sang KyuARTICLE672 On the freezing and structure of hard spheres under spherical confinement
2013-09Dimers of human -defensins and their interactions with the POPG membraneChen, Wen Wen; Yoon, Yong-Jin; Leong, Susanna Su Jan, et alARTICLE762 Dimers of human -defensins and their interactions with the POPG membrane
2013-05Biomolecular engineering of a human beta defensin model for increased salt resistanceLi, Xiang; Saravanan, Rathi; Kwak, Sang Kyu, et alARTICLE798 Biomolecular engineering of a human beta defensin model for increased salt resistance
2013-04Synthesis of Mesoporous Polyaniline (PANI)-Se0.5Te0.5 Dual-Layer Film from Lyotropic Liquid Crystalline TemplateXue, Tong; Wang, Xin; Kwak, Sang Kyu, et alARTICLE695 Synthesis of Mesoporous Polyaniline (PANI)-Se0.5Te0.5 Dual-Layer Film from Lyotropic Liquid Crystalline Template
2012-10Effects of Low-Order Surface Vacancy on Extinction Spectra of Localized Surface Plasmon ResonanceKwak, Sang Kyu; Yong, Ken-TyeARTICLE662 Effects of Low-Order Surface Vacancy on Extinction Spectra of Localized Surface Plasmon Resonance
2012-10Electrodeposition of mesoporous bilayers of polyaniline supported Cu2O semiconductor films from Lyotropic Liquid Crystalline phaseXue, Tong; Loo, Leslie S.; Wang, Xin, et alARTICLE697 Electrodeposition of mesoporous bilayers of polyaniline supported Cu2O semiconductor films from Lyotropic Liquid Crystalline phase
2012-07Preparation of quantum dot/drug nanoparticle formulations for traceable targeted delivery and therapyYong, Ken-Tye; Wang, Yucheng; Roy, Indrajit, et alARTICLE764 Preparation of quantum dot/drug nanoparticle formulations for traceable targeted delivery and therapy
2012-06Estimation of optimal insertion angle in a mammalian outer hair cell stereociliumBaek, Jong Dae; Yoon, Yong-Jin; Abedinnasab, Mohammad H., et alARTICLE719 Estimation of optimal insertion angle in a mammalian outer hair cell stereocilium
2012-03Confining effect of carbon-nanotube configuration on phase behavior of hard-sphere fluidHuang, Huan Cong; Singh, Jayant K.; Lee, Jong-Min, et alARTICLE644 Confining effect of carbon-nanotube configuration on phase behavior of hard-sphere fluid
2012-02Three-dimensional structure of human β-defensin 28 via homology modelling and molecular dynamicsChen, Wen Wen; Tay, Derrick Kok Sing; Leong, Susanna Su Jan, et alARTICLE538 Three-dimensional structure of human β-defensin 28 via homology modelling and molecular dynamics
2012-01Estimation of the free energy of hard-sphere crystals via a free-volume approachKwak, Sang Kyu; Park, Taezoon; Yoon, Yong-Jin, et alARTICLE592 Estimation of the free energy of hard-sphere crystals via a free-volume approach
2011-12Synthesis of ZnO nanorods by the thermal reduction process of a mixture of ZnO and Al powderNam, Kyung-Don; Kwak, Sang Kyu; Lee, Jong-MinARTICLE580 Synthesis of ZnO nanorods by the thermal reduction process of a mixture of ZnO and Al powder
2011-09Role of Polymer Segment-Particle Surface Interactions in Controlling Nanoparticle Dispersions in Concentrated Polymer SolutionsKim, So Youn; Zukoski, Charles F.ARTICLE739 Role of Polymer Segment-Particle Surface Interactions in Controlling Nanoparticle Dispersions in Concentrated Polymer Solutions
2011Generalized equilibrium concentration of polyvacancy: case study for trivacancy in hard-sphere crystalsLiu, Chao; Su, Pei-Chen; Kwak, Sang KyuARTICLE629 Generalized equilibrium concentration of polyvacancy: case study for trivacancy in hard-sphere crystals
2010-10Higher-order Galilean-invariant lattice Boltzmann model for microflows: Single-component gasYudistiawan, Wahyu Perdana; Kwak, Sang Kyu; Patil, D. V., et alARTICLE594 Higher-order Galilean-invariant lattice Boltzmann model for microflows: Single-component gas
2010-07Phase transition and crossover behavior of colloidal fluids under confinementSingh, Sudhir K.; Singh, Jayant K.; Kwak, Sang Kyu, et alARTICLE556 Phase transition and crossover behavior of colloidal fluids under confinement

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