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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
2010-06Direct determination of fluid-solid coexistence of square-well fluids confined in narrow cylindrical hard poresHuang, Huan Cong; Chen, Wen Wen; Singh, Jayant K., et alARTICLE646 Direct determination of fluid-solid coexistence of square-well fluids confined in narrow cylindrical hard pores
2010-01Enrichment of (8,4) Single-Walled Carbon Nanotubes Through Coextraction with HeparinYan, Liang Yu; Li, Weifeng; Fan, Xiao Feng, et alARTICLE571 Enrichment of (8,4) Single-Walled Carbon Nanotubes Through Coextraction with Heparin
2010Evaluation of bridge function for hard sphere fluid confined in a narrow slit-pore via TMMC Mayer-samplingChen, Wen Wen; Huang, Huan Cong; Kwak, Sang KyuARTICLE638 Evaluation of bridge function for hard sphere fluid confined in a narrow slit-pore via TMMC Mayer-sampling
2009-07Vapor-liquid critical and interfacial properties of square-well fluids in slit poresJana, Subimal; Singh, Jayant K; Kwak, Sang KyuARTICLE685 Vapor-liquid critical and interfacial properties of square-well fluids in slit pores
2009-04Characterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via molecular dynamics simulationHuang, Huan Cong; Kwak, Sang Kyu; Singh, Jayant K.ARTICLE605 Characterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via molecular dynamics simulation
2009Quasi-2D and prewetting transitions of square-well fluids on a square-well substrateSaha, Ashim K.; Singh, Satya Pal; Singh, Jayant K., et alARTICLE760 Quasi-2D and prewetting transitions of square-well fluids on a square-well substrate
2009Calculation of bridge function coefficients via modified Mayer-samplingsChen, Wen Wen; Kwak, Sang KyuARTICLE606 Calculation of bridge function coefficients via modified Mayer-samplings
2008-04Characterization of mono- and divacancy in fcc and hcp hard-sphere crystalsKwak, Sang Kyu; Cahyana, Yenni; Singh, Jayant K.ARTICLE612 Characterization of mono- and divacancy in fcc and hcp hard-sphere crystals
2008-01Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surfaceSingh, Jayant K.; Sarma, Gautam; Kwak, Sang KyuARTICLE670 Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surface
2008Interface mixing behaviour of Lennard-Jones FCC (100) thin filmGazali, Panji; Kwak, Sang Kyu; Singh, Jayant K.ARTICLE696 Interface mixing behaviour of Lennard-Jones FCC (100) thin film
2007-05Molecular simulation study of vapor-liquid equilibrium of morse fluidsKwak, Sang Kyu; Singh, J.K.; Adhikari, J.ARTICLE602 Molecular simulation study of vapor-liquid equilibrium of morse fluids
2007-01Surface tension and vapor-liquid phase coexistence of confined square-well fluidSingh, Jayant K.; Kwak, Sang KyuARTICLE625 Surface tension and vapor-liquid phase coexistence of confined square-well fluid
2007Interfacial properties of Morse fluidsSingh, J. K.; Adhikari, J.; Kwak, Sang KyuARTICLE626 Interfacial properties of Morse fluids
2006-10Vapor-liquid phase coexistence curves for Morse fluidsSingh, Jayant K.; Adhikari, Jhumpa; Kwak, Sang KyuARTICLE533 Vapor-liquid phase coexistence curves for Morse fluids
2005-05Effect of monovacancies on the relative stability of fcc and hcp hard-sphere crystalsKwak, Sang Kyu; Kofke, DAARTICLE608 Effect of monovacancies on the relative stability of fcc and hcp hard-sphere crystals
2005-03Evaluation of bridge-function diagrams via mayer-sampling Monte Carlo simulationKwak, Sang Kyu; Kofke, DAARTICLE566 Evaluation of bridge-function diagrams via mayer-sampling Monte Carlo simulation
2004-12Elastic constants and the effect of strain on monovacancy concentration in fcc hard-sphere crystalsKwak, Sang Kyu; Kofke, DAARTICLE621 Elastic constants and the effect of strain on monovacancy concentration in fcc hard-sphere crystals

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