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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
2016-11Design of a heterogeneous catalytic process for the continuous and direct synthesis of lactide from lactic acidUpare, Pravin P.; Yoon, Ji Woong; Hwang, Dong Won, et alARTICLE416 Design of a heterogeneous catalytic process for the continuous and direct synthesis of lactide from lactic acid
2016-10Hydrogen production based on a photoactivated nanowire-forestLee, Seyeong; Hanif, Zahid; Seo, Keumyoung, et alARTICLE544 Hydrogen production based on a photoactivated nanowire-forest
2016-10Janus-Faced, Dual-Conductive/Chemically Active Battery Separator MembranesOh, Yeon-Su; Jung, Gwan Yeong; Kim, Jeong-Hoon, et alARTICLE838 Janus-Faced, Dual-Conductive/Chemically Active Battery Separator Membranes
2016-08First-Principles Study of the Role of O2 and H2O in the Decoupling of Graphene on Cu(111)Wong, Kester; Kang, Seok Ju; Bielawski, Christopher W., et alARTICLE851 First-Principles Study of the Role of O2 and H2O in the Decoupling of Graphene on Cu(111)
2016-07Boosting the Performance of Organic Optoelectronic Devices Using Multiple-Patterned Plasmonic NanostructuresLee, Yoon Ho; Lee, Tae Kyung; Song, Inho, et alARTICLE691 Boosting the Performance of Organic Optoelectronic Devices Using Multiple-Patterned Plasmonic Nanostructures
2016-07Selective dispersion of single-walled carbon nanotubes by binaphthyl-based conjugated polymers: Integrated experimental and simulation approachMin, Sa Hoon; Kim, Hye-In; Kim, Kyung-Su, et alARTICLE505 Selective dispersion of single-walled carbon nanotubes by binaphthyl-based conjugated polymers: Integrated experimental and simulation approach
2016-07Controlled three-dimensional interconnected capillary structures for liquid repellency engineeringBong, Jihye; Ahn, Changui; Lim, Taekyung, et alARTICLE646 Controlled three-dimensional interconnected capillary structures for liquid repellency engineering
2016-07Effect of rotational-state-dependent molecular alignment on the optical dipole forceKim, Lee Yeong; Lee, Ju Hyeon; Kim, Hye Ah, et alARTICLE559 Effect of rotational-state-dependent molecular alignment on the optical dipole force
2016-06Enhancing Interfacial Bonding between Anisotropically Oriented Grains using a Glue-Nanofiller for Advanced Li-ion Battery CathodeKim, Hyejung; Lee, Sanghan; Cho, Hyeon, et alARTICLE918 Enhancing Interfacial Bonding between Anisotropically Oriented Grains using a Glue-Nanofiller for Advanced Li-ion Battery Cathode
2016-06C-H bond arylation of anilides inside copper-exchanged zeolitesMathew, Bijoy P.; Yang, Hyun Ji; Jeon, Himchan, et alARTICLE916 C-H bond arylation of anilides inside copper-exchanged zeolites
2016-06Thermodynamic efficiencies of hydrogen storage processes using carbazole-based compoundsChoi, In Young; Shin, Byeong Soo; Kwak, Sang Kyu, et alARTICLE769 Thermodynamic efficiencies of hydrogen storage processes using carbazole-based compounds
2016-05Dynamics of mitochondrial transport in axonsNiescier, Robert F.; Kwak, Sang Kyu; Joo, Se Hun, et alARTICLE569 Dynamics of mitochondrial transport in axons
2016-05COF-Net on CNT-Net as a Molecularly Designed, Hierarchical Porous Chemical Trap for Polysulfides in Lithium-Sulfur BatteriesYoo, JongTae; Cho, Sung-Ju; Jung, Gwan Yeong, et alARTICLE745 COF-Net on CNT-Net as a Molecularly Designed, Hierarchical Porous Chemical Trap for Polysulfides in Lithium-Sulfur Batteries
2016-05Wafer-Scale and Wrinkle-Free Epitaxial Growth of Single-Orientated Multilayer Hexagonal Boron Nitride on SapphireJang, A-Rang; Hong, Seokmo; Hyun, Chohee, et alARTICLE780 Wafer-Scale and Wrinkle-Free Epitaxial Growth of Single-Orientated Multilayer Hexagonal Boron Nitride on Sapphire
2016-05Theoretical Study on Enhancement of Sensing Capability of Plasmonic Dimer Au Nanoparticles with Amphiphilic Polymer BrushesGo, Eun Min; Lee, Tae Kyung; Min, Sa Hoon, et alARTICLE582 Theoretical Study on Enhancement of Sensing Capability of Plasmonic Dimer Au Nanoparticles with Amphiphilic Polymer Brushes
2016-05Transformation from Cu2-xS Nanodisks to Cu2-xS@CuInS2 Heteronanodisks via Cation ExchangeLee, Seungyeol; Baek, Seungmin; Park, Joong Pill, et alARTICLE473 Transformation from Cu2-xS Nanodisks to Cu2-xS@CuInS2 Heteronanodisks via Cation Exchange
2016-02Generalized Redox-Responsive Assembly of Carbon-Sheathed Metallic and Semiconducting Nanowire HeterostructuresChoi, Sinho; Kim, Jieun; Hwang, Dae Yeon, et alARTICLE656 Generalized Redox-Responsive Assembly of Carbon-Sheathed Metallic and Semiconducting Nanowire Heterostructures
2016-01Epitaxial Growth of Thin Ferroelectric Polymer Films on Graphene Layer for Fully Transparent and Flexible Nonvolatile MemoryKim, Kang Lib; Lee, Wonho; Hwang, Sun Kak, et alARTICLE991 Epitaxial Growth of Thin Ferroelectric Polymer Films on Graphene Layer for Fully Transparent and Flexible Nonvolatile Memory
2016-01Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic FrameworkHyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong, et alARTICLE963 Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework
2016-01Origin of ultraweak fluorescence of 8-hydroxyquinoline in water: photoinduced ultrafast proton transferPark, Sun-Young; Ghosh, Prasun; Park, Sung O., et alARTICLE818 Origin of ultraweak fluorescence of 8-hydroxyquinoline in water: photoinduced ultrafast proton transfer

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