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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
2018-08One-step production of highly anisotropic particles via a microfluidic methodXia, Ming; Go, Eun Min; Choi, Kyu Hwan, et alARTICLE598 One-step production of highly anisotropic particles via a microfluidic method
2018-08Revealing salt-expedited reduction mechanism for hollow silicon microsphere formation in bi-functional halide meltsSong, Gyujin; Ryu, Jaegeon; Kim, Jin Chul, et alARTICLE465 Revealing salt-expedited reduction mechanism for hollow silicon microsphere formation in bi-functional halide melts
2018-08The Exterior of Single-Walled Carbon Nanotubes as a Millimeter-Long Cation-Preferring NanochannelKim, Yun-Tae; Joo, Se Hun; Min, Hyegi, et alARTICLE356 The Exterior of Single-Walled Carbon Nanotubes as a Millimeter-Long Cation-Preferring Nanochannel
2018-07Contorted polycyclic aromatic hydrocarbon: promising Li insertion organic anodePark, Jaehyun; Lee, Cheol Woo; Joo, Se Hun, et alARTICLE598 Contorted polycyclic aromatic hydrocarbon: promising Li insertion organic anode
2018-07Thermodynamic assessment of carbazole-based organic polycyclic compounds for hydrogen storage applications via a computational approachShin, Byeong Soo; Yoon, Chang Won; Kwak, Sang Kyu, et alARTICLE12 Thermodynamic assessment of carbazole-based organic polycyclic compounds for hydrogen storage applications via a computational approach
2018-06Biodegradable, electro-active chitin nanofiber films for flexible piezoelectric transducersKim, Kyungtae; Ha, Minjeong; Choi, Byeongwook, et alARTICLE826 Biodegradable, electro-active chitin nanofiber films for flexible piezoelectric transducers
2018-06Effect of acidic aqueous solution on chemical and physical properties of polyamide NF membranesJun, Byung-Moon; Kim, Su Hwan; Kwak, Sang Kyu, et alARTICLE670 Effect of acidic aqueous solution on chemical and physical properties of polyamide NF membranes
2018-06Unsymmetrical fluorinated malonatoborate as an amphoteric additive for high-energy-density lithium- ion batteriesHan, Jung-Gu; Lee, Jae Bin; Cha, Aming, et alARTICLE652 Unsymmetrical fluorinated malonatoborate as an amphoteric additive for high-energy-density lithium- ion batteries
2018-05Multiple roles of palladium-coated magnetic anisotropic particles as catalysts, catalyst supports, and micro-stirrersXia, Ming; Kim, Kyung Hak; Lee, Jongwon, et alARTICLE516 Multiple roles of palladium-coated magnetic anisotropic particles as catalysts, catalyst supports, and micro-stirrers
2018-05Enhanced Lithium Storage Capacity of a Tetralithium 1,2,4,5-Benzenetetracarboxylate (Li4C10H2O8) Salt Through Crystal Structure TransformationCahyadi, Handi Setiadi; William, Wendy; Verma, Deepak, et alARTICLE300 Enhanced Lithium Storage Capacity of a Tetralithium 1,2,4,5-Benzenetetracarboxylate (Li4C10H2O8) Salt Through Crystal Structure Transformation
2018-03Broadband Plasmonic Antenna Enhanced Upconversion and Its Application in Flexible Fingerprint IdentificationXu, Wen; Lee, Tae Kyung; Moon, Byeong-Seok, et alARTICLE401 Broadband Plasmonic Antenna Enhanced Upconversion and Its Application in Flexible Fingerprint Identification
2018-03A Flexible High-Performance Photoimaging Device Based on Bioinspired Hierarchical Multiple-Patterned Plasmonic NanostructuresLee, Yoon Ho; Lee, Tae Kyung; Kim, Hongki, et alARTICLE490 A Flexible High-Performance Photoimaging Device Based on Bioinspired Hierarchical Multiple-Patterned Plasmonic Nanostructures
2018-03Porous Zr6L3 Metallocage with Synergetic Binding Centers for CO2Lee, Soochan; Lee, Jeong Hyeon; Kim, Jin Chul, et alARTICLE535 Porous Zr6L3 Metallocage with Synergetic Binding Centers for CO2
2018-02Molecular Viscosity Sensors with Two Rotators for Optimizing the Fluorescence Intensity-Contrast Trade-OffLee, Seung-Chul; Lee, Chang-Lyoul; Heo, Jeongyun, et alARTICLE368 Molecular Viscosity Sensors with Two Rotators for Optimizing the Fluorescence Intensity-Contrast Trade-Off
2018-02Preferential horizontal growth of tungsten sulfide on carbon and insight into active sulfur sites for the hydrogen evolution reactionSeo, Bora; Jung, Gwan Yeong; Kim, Jae Hyung, et alARTICLE483 Preferential horizontal growth of tungsten sulfide on carbon and insight into active sulfur sites for the hydrogen evolution reaction
2018-01Reaction characteristics of Ni-Al nanolayers by molecular dynamics simulationJung, Gwan Yeong; Jeon, Woo Cheol; Lee, Sukbin, et alARTICLE573 Reaction characteristics of Ni-Al nanolayers by molecular dynamics simulation
2017-11Aggregation Driven Controllable Plasmonic Transition of Silica-Coated Gold Nanoparticles with Temperature Dependent Polymer-Nanoparticle Interactions for Potential Applications in Optoelectronic DevicesKwon, Na Kyung; Lee, Tae Kyung; Kwak, Sang Kyu, et alARTICLE531 Aggregation Driven Controllable Plasmonic Transition of Silica-Coated Gold Nanoparticles with Temperature Dependent Polymer-Nanoparticle Interactions for Potential Applications in Optoelectronic Devices
2017-10Graphene-wrapped Porous Sb Anodes for Sodium-Ion Batteries by Mechanochemical Compositing and Metallomechanical Reduction of Sb2O3Hwang, Chihyun; Choi, Sinho; Jung, Gwan Yeong, et alARTICLE590 Graphene-wrapped Porous Sb Anodes for Sodium-Ion Batteries by Mechanochemical Compositing and Metallomechanical Reduction of Sb2O3
2017-09Formation of bright-green-color-emitting perovskite CsPbBr3 in a bulk state using a simple recrystallization processPark, Joong Pill; Lee, Tae Kyung; Kwak, Sang Kyu, et alARTICLE1045 Formation of bright-green-color-emitting perovskite CsPbBr3 in a bulk state using a simple recrystallization process
2017-08Atomistic insight into the role of amine groups in thermoresponsive poly(2-dialkylaminoethyl methacrylate)sMin, Sa Hoon; Kwak, Sang Kyu; Kim, Byeong-SuARTICLE550 Atomistic insight into the role of amine groups in thermoresponsive poly(2-dialkylaminoethyl methacrylate)s

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