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
2020-03Cyclic Aminosilane‐Based Additive Ensuring Stable Electrode–Electrolyte Interfaces in Li‐Ion BatteriesKim, Koeun; Hwang, Daeyeon; Kim, Saehun, et alARTICLE110 Cyclic Aminosilane‐Based Additive Ensuring Stable Electrode–Electrolyte Interfaces in Li‐Ion Batteries
2020-02Pyridinic-Nitrogen-Containing Carbon Cathode: Efficient Electrocatalyst for Seawater BatteriesNguyen Dien Kha Tu; Park, Sung O; Park, Jaehyun, et alARTICLE174 Pyridinic-Nitrogen-Containing Carbon Cathode: Efficient Electrocatalyst for Seawater Batteries
2020-02Hydrogen‐Bond Free Energy of Local Biological WaterPark, Won-Woo; Lee, Kyung Min; Lee, Byeong Sung, et alARTICLE148 Hydrogen‐Bond Free Energy of Local Biological Water
2020-02Controllable Explosion of Nanobomb by Modifying Nanocontainer and External ShocksJeon, Woo Cheol; Lee, Jeong Hyeon; Kim, Jin Chul, et alARTICLE95 Controllable Explosion of Nanobomb by Modifying Nanocontainer and External Shocks
2020-01Fluorine-incorporated interface enhances cycling stability of lithium metal batteries with Ni-rich NCM cathodesLee, Yongwon; Lee, Tae Kyung; Kim, Saehun, et alARTICLE237 Fluorine-incorporated interface enhances cycling stability of lithium metal batteries with Ni-rich NCM cathodes
2020-01Chemically induced transformation of chemical vapour deposition grown bilayer graphene into fluorinated single-layer diamondBakharev, Pavel V.; Huang, Ming; Saxena, Manav, et alARTICLE225 Chemically induced transformation of chemical vapour deposition grown bilayer graphene into fluorinated single-layer diamond
2020-01Synergistic effect of quinary molten salts and Ruthenium catalyst for high-power-density Lithium-carbon dioxide cellBaek, Kyungeun; Jeon, Woo Cheol; Woo, Seongho, et alARTICLE235 Synergistic effect of quinary molten salts and Ruthenium catalyst for high-power-density Lithium-carbon dioxide cell
2020-01A highly efficient hydrotalcite/1-butanol catalytic system for production of the high-yield fructose crystal from glucoseUpare, Pravin P; Chamas, Ali; Lee, Jeong Hyeon, et alARTICLE215 A highly efficient hydrotalcite/1-butanol catalytic system for production of the high-yield fructose crystal from glucose
2020-01Monomeric MoS4 2--Derived Polymeric Chains with Active Molecular Units for Efficient Hydrogen Evolution ReactionSeo, Bora; Jung, Gwan Yeong; Lee, Se Jeong, et alARTICLE93 Monomeric MoS4 2--Derived Polymeric Chains with Active Molecular Units for Efficient Hydrogen Evolution Reaction
2020-01Revealing the Sodium Storage Mechanism in Higherature-Synthesized Silicon OxycarbidesChandra, Christian; Cahyadi, Handi Setiadi; Alvin, Stevanus, et alARTICLE76 Revealing the Sodium Storage Mechanism in Higherature-Synthesized Silicon Oxycarbides
2020-01Atomically dispersed Pt-N-4 sites as efficient and selective electrocatalysts for the chlorine evolution reactionLim, Taejung; Jung, Gwan Yeong; Kim, Jae Hyung, et alARTICLE165 Atomically dispersed Pt-N-4 sites as efficient and selective electrocatalysts for the chlorine evolution reaction
2019-11Effect of Copper Substrate Surface Orientation on the Reductive Functionalization of GrapheneZhang, Xu; Luo, Da; Zhang, Hanyang, et alARTICLE171 Effect of Copper Substrate Surface Orientation on the Reductive Functionalization of Graphene
2019-10Uniform Ag Nanocubes Prepared by AgCl Particle–Mediated Heterogeneous Nucleation and Disassembly and Their Mechanism Study by DFT CalculationHan, Hye Ji; Park, Ju Hyun; Park, Jin Kyoung, et alARTICLE211 Uniform Ag Nanocubes Prepared by AgCl Particle–Mediated Heterogeneous Nucleation and Disassembly and Their Mechanism Study by DFT Calculation
2019-10Partial Oxidation-Induced Electrical Conductivity and Paramagnetism in a Ni(II) Tetraaza[14]annulene-Linked Metal Organic FrameworkJiang, Yi; Oh, Inseon; Joo, Se Hun, et alARTICLE325 Partial Oxidation-Induced Electrical Conductivity and Paramagnetism in a Ni(II) Tetraaza[14]annulene-Linked Metal Organic Framework
2019-10Understanding of Fluorination Dependence on Electron Mobility and Stability of Naphthalenediimide-Based Polymer Transistors in Environment with 100% Relative HumidityCho, Yongjoon; Lee, Hae Rang; Jeong, Ayoung, et alARTICLE163 Understanding of Fluorination Dependence on Electron Mobility and Stability of Naphthalenediimide-Based Polymer Transistors in Environment with 100% Relative Humidity
2019-09Antioxidative Lithium Reservoir Based on Interstitial Channels of Carbon Nanotube BundlesCho, Seok-Kyu; Jung, Gwan Yeong; Choi, Keun-Ho, et alARTICLE226 Antioxidative Lithium Reservoir Based on Interstitial Channels of Carbon Nanotube Bundles
2019-09Heterochiral Assembly of Amphiphilic Peptides Inside the Mitochondria for Supramolecular Cancer TherapeuticsJeena, M. T.; Jeong, Keunsoo; Go, Eun Min, et alARTICLE234 Heterochiral Assembly of Amphiphilic Peptides Inside the Mitochondria for Supramolecular Cancer Therapeutics
2019-09Methylammonium Chloride Induces Intermediate Phase Stabilization for Efficient Perovskite Solar CellsKim, Minjin; Kim, Gi-Hwan; Lee, Tae Kyung, et alARTICLE230 Methylammonium Chloride Induces Intermediate Phase Stabilization for Efficient Perovskite Solar Cells
2019-09Estimation of heat transfer coefficient of water and ethylene glycol mixture in nanopipe via non-equilibrium coarse-grained molecular dynamicsGo, Eun Min; Shin, Eunhye; Cha, JinHyeok, et alARTICLE200 Estimation of heat transfer coefficient of water and ethylene glycol mixture in nanopipe via non-equilibrium coarse-grained molecular dynamics
2019-09Thermodynamic Control of Amorphous Precursor Phases for Calcium Carbonate via Additive IonsJung, Gwan Yeong; Shin, Eunhye; Park, Ju Hyun, et alARTICLE216 Thermodynamic Control of Amorphous Precursor Phases for Calcium Carbonate via Additive Ions

MENU