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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
2015-12Particle-on-Film Gap Plasmons on Antireflective ZnO Nanocone Arrays for Molecular-Level Surface-Enhanced Raman Scattering SensorsLee, Youngoh; Lee, Jiwon; Lee, Tae Kyung, et alARTICLE757 Particle-on-Film Gap Plasmons on Antireflective ZnO Nanocone Arrays for Molecular-Level Surface-Enhanced Raman Scattering Sensors
2015-12Conductivity-Dependent Completion of Oxygen Reduction on Oxide CatalystsLee, Dong-Gyu; Gwon, Ohhun; Park, Han-Saem, et alARTICLE719 Conductivity-Dependent Completion of Oxygen Reduction on Oxide Catalysts
2015-11Seamless lamination of a concave-convex architecture with single-layer graphenePark, Ji-Hoon; Lim, Taekyung; Baik, Jaeyoon, et alARTICLE749 Seamless lamination of a concave-convex architecture with single-layer graphene
2015-09Dynamic graphene filters for selective gas-water-oil separationBong, Jihye; Lim, Taekyung; Seo, Keumyoung, et alARTICLE864 Dynamic graphene filters for selective gas-water-oil separation
2015-09Breathing silicon anodes for durable high-power operationsHwang, Chihyun; Joo, Sehun; Kang, Na-Ri, et alARTICLE792 Breathing silicon anodes for durable high-power operations
2015-09Direct exfoliation and dispersion of two-dimensional materials in pure water via temperature controlKim, Jinseon; Kwon, Sanghyuk; Cho, Dae-Hyun, et alARTICLE969 Direct exfoliation and dispersion of two-dimensional materials in pure water via temperature control
2015-07Attomolar Level Detection of Raman Molecules with Hierarchical Silver Nanostructures Including Tiny Nanoparticles between Nanosized Gaps Generated in Silver PetalsDandapat, Anirban; Lee, Tae Kyung; Zhang, Yiming, et alARTICLE660 Attomolar Level Detection of Raman Molecules with Hierarchical Silver Nanostructures Including Tiny Nanoparticles between Nanosized Gaps Generated in Silver Petals
2015-07Mechanistic Studies of Transition Metal-Terephthalate Coordination Complexes upon Electrochemical Lithiation and DelithiationLee, Hyun Ho; Park, Yuwon; Kim, Su Hwan, et alARTICLE808 Mechanistic Studies of Transition Metal-Terephthalate Coordination Complexes upon Electrochemical Lithiation and Delithiation
2015-04Monolayer-Precision Synthesis of Molybdenum Sulfide Nanoparticles and Their Nanoscale Size Effects in the Hydrogen Evolution ReactionSeo, Bora; Jung, Gwan Yeong; Sa, Young Jin, et alARTICLE811 Monolayer-Precision Synthesis of Molybdenum Sulfide Nanoparticles and Their Nanoscale Size Effects in the Hydrogen Evolution Reaction
2015-03Highly Sensitive and Selective Liquid-Phase Sensors Based on a Solvent-Resistant Organic-Transistor PlatformLee, Moo Yeol; Kim, Hyeong Jun; Jung, Gwan Yeong, et alARTICLE786 Highly Sensitive and Selective Liquid-Phase Sensors Based on a Solvent-Resistant Organic-Transistor Platform
2015-03Atomistic simulation for coil-to-globule transition of poly(2-dimethylaminoethyl methacrylate)Min, Sa Hoon; Kwak, Sang Kyu; Kim, Byeong-SuARTICLE991 Atomistic simulation for coil-to-globule transition of poly(2-dimethylaminoethyl methacrylate)
2015-02Study of Quaternary System of Salicylic Acid, Water, Ozone, and PAL by Molecular DynamicsJoo, Se Hun; Seong, Ji Hye; Han, Jin Sol, et alARTICLE971 Study of Quaternary System of Salicylic Acid, Water, Ozone, and PAL by Molecular Dynamics
2015-02Single crystalline hollow metal-organic frameworks: a metal-organic polyhedron single crystal as a sacrificial templateKim, Hyehyun; Oh, Minhak; Kim, Dongwook, et alARTICLE758 Single crystalline hollow metal-organic frameworks: a metal-organic polyhedron single crystal as a sacrificial template
2014-11Effect of Ga and As vacancies on electronic properties of Ga0.9375Al0.0625AsKim, Su Hwan; Lee, Tae Kyung; Kim, Tae-Il, et alARTICLE723 Effect of Ga and As vacancies on electronic properties of Ga0.9375Al0.0625As
2014-11Thermodynamic inhibition effects of ionic liquids on the formation of condensed carbon dioxide hydrateShin, Byeong Soo; Kim, Eun Sung; Kwak, Sang Kyu, et alARTICLE743 Thermodynamic inhibition effects of ionic liquids on the formation of condensed carbon dioxide hydrate
2014-11Designed three-dimensional freestanding single-crystal carbon architecturesPark, Ji-Hoon; Cho, Dae-Hyun; Moon, Youngkwon, et alARTICLE807 Designed three-dimensional freestanding single-crystal carbon architectures
2014-10Phase Behavior of Ternary Mixtures of Water-Vanillin-Ethanol for Vanillin Extraction via Dissipative Particle DynamicsSon, Ga Eun; Sugartseren, Nyambayar; Yoon, Won-Byong, et alARTICLE648 Phase Behavior of Ternary Mixtures of Water-Vanillin-Ethanol for Vanillin Extraction via Dissipative Particle Dynamics
2014-10Effects of solubility properties of solvents and biomass on biomass pretreatmentWeerachanchai, Piyarat; Kwak, Sang Kyu; Lee, Jong-MinARTICLE642 Effects of solubility properties of solvents and biomass on biomass pretreatment
2014-08Molecular Dynamics Simulation of Oxygen Ion Diffusion in Yttria Stabilized Zirconia Single Crystals and BicrystalsHuang, H. C.; Su, P.-C.; Kwak, Sang Kyu, et alARTICLE682 Molecular Dynamics Simulation of Oxygen Ion Diffusion in Yttria Stabilized Zirconia Single Crystals and Bicrystals
2014-08Enhancing 2D growth of organic semiconductor thin films with macroporous structures via a small-molecule heterointerfaceKang, Boseo; Jang, Moonjeon; Chung, Yoonyoung, et alARTICLE667 Enhancing 2D growth of organic semiconductor thin films with macroporous structures via a small-molecule heterointerface

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