사진

  • ResearcherID
  • ResearchGate
  • ORCiD
  • Scopus
  • Google Citations

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.
This table browses all dspace content
Issue DateTitleAuthor(s)TypeViewAltmetrics
2022-04Modulation of magnetoelectric coupling through systematically engineered spin canting in nickel–zinc ferriteCho, Jae‐Hyeon; Kim, Yu Jin; Kim, Su Hwan, et alARTICLE108 Modulation of magnetoelectric coupling through systematically engineered spin canting in nickel–zinc ferrite
2022-04Peptidomimetic Wet-Adhesive PEGtides with Synergistic and Multimodal Hydrogen BondingKim, Minseong; Park, Jinwoo; Lee, Kyung Min, et alARTICLE26 Peptidomimetic Wet-Adhesive PEGtides with Synergistic and Multimodal Hydrogen Bonding
2022-04Intramitochondrial co-assembly between ATP and nucleopeptides induces cancer cell apoptosisChoi, Huyeon; Park, Gaeun; Shin, Eunhye, et alARTICLE22 Intramitochondrial co-assembly between ATP and nucleopeptides induces cancer cell apoptosis
2022-03Stable electrode–electrolyte interfaces constructed by fluorine- and nitrogen-donating ionic additives for high-performance lithium metal batteriesKim, Saehun; Park, Sung O; Lee, Min-Young, et alARTICLE118 Stable electrode–electrolyte interfaces constructed by fluorine- and nitrogen-donating ionic additives for high-performance lithium metal batteries
2022-03Highly Efficient Hole Transport Layer-Free Low Bandgap Mixed Pb-Sn Perovskite Solar Cells Enabled by a Binary Additive SystemKim, Hongki; Lee, Jong Woo; Han, Gi Rim, et alARTICLE63 Highly Efficient Hole Transport Layer-Free Low Bandgap Mixed Pb-Sn Perovskite Solar Cells Enabled by a Binary Additive System
2022-03Preparation of copper-loaded porous carbons through hydrothermal carbonization and ZnCl2 activation and their application to selective CO adsorption: Experimental and DFT calculation studiesYun, Heesun; Kim, Yu Jin; Kim, Seung Bin, et alARTICLE75 Preparation of copper-loaded porous carbons through hydrothermal carbonization and ZnCl2 activation and their application to selective CO adsorption: Experimental and DFT calculation studies
2022-03Strong interfacial energetics between catalysts and current collectors in aqueous sodium-air batteriesBaek, Myung-Jin; Choi, Jieun; Wi, Tae-Ung, et alARTICLE58 Strong interfacial energetics between catalysts and current collectors in aqueous sodium-air batteries
2022-03Understanding the Role of a Water-Soluble Catechol-Functionalized Binder for Silicon Anodes by Diverse In Situ AnalysesKo, Sangho; Baek, Myung-Jin; Wi, Tae-Ung, et alARTICLE23 Understanding the Role of a Water-Soluble Catechol-Functionalized Binder for Silicon Anodes by Diverse In Situ Analyses
2022-03High-energy-density carbon-coated bismuth nanodots on hierarchically porous molybdenum carbide for superior lithium storageDevina, Winda; Cahyadi, Handi Setiadi; Albertina, Ingrid, et alARTICLE20 High-energy-density carbon-coated bismuth nanodots on hierarchically porous molybdenum carbide for superior lithium storage
2022-02Anion-Rectifying Polymeric Single Lithium-Ion ConductorsCho, Seok-Kyu; Oh, Kyeong-Seok; Shin, Jong Chan, et alARTICLE64 Anion-Rectifying Polymeric Single Lithium-Ion Conductors
2022-02Promotion of oxygen evolution reaction via the reconstructed active phase of perovskite oxideJo, Hyoi; Yang, Yejin; Seong, Arim, et alARTICLE73
2022-02Guanine‐based G‐quadruplexes Templated by Various Cations toward Potential Use as Single‐Ion ConductorsKang, So-Huei; Lee, Kyung Min; Cho, Seok-Kyu, et alARTICLE55 Guanine‐based G‐quadruplexes Templated by Various Cations toward Potential Use as Single‐Ion Conductors
2022-02Malonic-acid-functionalized fullerene enables the interfacial stabilization of Ni-rich cathodes in lithium-ion batteriesPark, Chanhyun; Lee, Eunryeol; Kim, Su Hwan, et alARTICLE103 Malonic-acid-functionalized fullerene enables the interfacial stabilization of Ni-rich cathodes in lithium-ion batteries
2022-02Promotion of the oxygen evolution reaction via the reconstructed active phase of perovskite oxideJo, Hyoi; Yang, Yejin; Seong, Arim, et alARTICLE91 Promotion of the oxygen evolution reaction via the reconstructed active phase of perovskite oxide
2022-02Acid stability of polyamide membranesJun, Byung-Moon; Kim, Su Hwan; Lim, Hyeong Yong, et alARTICLE179 Acid stability of polyamide membranes
2022-02Universal Solution Synthesis of Sulfide Solid Electrolytes Using Alkahest for All-Solid-State BatteriesLee, Ji Eun; Park, Kern-Ho; Kim, Jin Chul, et alARTICLE40 Universal Solution Synthesis of Sulfide Solid Electrolytes Using Alkahest for All-Solid-State Batteries
2022-01Understanding lithium, sodium, and potassium storage mechanisms in silicon oxycarbideChandra, Christian; Devina, Winda; Cahyadi, Handi Setiadi, et alARTICLE148 Understanding lithium, sodium, and potassium storage mechanisms in silicon oxycarbide
2022-01Geomimetic Hydrothermal Synthesis of Polyimide-Based Covalent Organic FrameworksKim, Taehyung; Joo, Se Hun; Gong, Jintaek, et alARTICLE78 Geomimetic Hydrothermal Synthesis of Polyimide-Based Covalent Organic Frameworks
2022-01Separation of ethane/ethylene gas mixture by ethane-selective CAU-3-NDCA adsorbentCho, Kyung Ho; Yoon, Ji Woong; Lee, Jeong Hyeon, et alARTICLE116 Separation of ethane/ethylene gas mixture by ethane-selective CAU-3-NDCA adsorbent
2022-01Solid Electrolyte Interphase Layers by Using Lithiophilic and Electrochemically Active Ionic Additives for Lithium Metal AnodesKim, Saehun; Lee, Tae Kyung; Kwak, Sang Kyu, et alARTICLE61 Solid Electrolyte Interphase Layers by Using Lithiophilic and Electrochemically Active Ionic Additives for Lithium Metal Anodes

MENU