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Baig, Chunggi (백충기)

Department
School of Energy and Chemical Engineering(에너지화학공학과)
Website
https://chunggibaig.wixsite.com/cbaig
Lab
Theoretical and Computational Study of Polymers & Nanomaterials Lab. (고분자 및 나노재료 이론/계산 연구실)
Research Keywords
다중스케일 전산모사, 분자동역학, 고분자 유변학, 나노재료, 분자형태구조, 분자 모델링, Multiscale simulation, Molecular dynamics, Polymer rheology, Nanomaterial, Molecular architecture, Molecular modeling
Research Interests
Significant advances in the field of computer simulations (both methodological and algorithmic) and the rapid increase in computing power have led to the development of powerful multi-scale simulation tools (i.e., from the microscopic quantum/atomistic level via mesoscopic coarse-graining procedures all the way up to the macroscopic or continuum level). These developments have the potential to address fundamental issues in materials science and technology by revealing the molecular origin of unique phenomena exhibited at the macroscopic level and by elucidating the structure-property-processing relationships in systems with a complex internal microstructure of synthetic polymers and biopolymers. Motivated by these advances, our research interests (topics) are listed as i) Bulk polymer melt viscoelasticity, ii) Interfacial structural/rheological properties of complex fluids, iii) Micro- and nano-structured materials (multi-scale simulation), and iv) Biological systems.  
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Issue DateTitleAuthor(s)TypeViewAltmetrics
2017-06Rheological Influence of Short-Chain Branching for Polymeric Materials under Shear with Variable Branch Density and Branching ArchitectureJeong, Seung Heum; Kim, Jun Mo; Baig, ChunggiARTICLE694 Rheological Influence of Short-Chain Branching for Polymeric Materials under Shear with Variable Branch Density and Branching Architecture
2017-06Size-dependent conformational change in halogen-pi interaction: from benzene to grapheneKim, Dong Yeon; Madridejos, Jenica Marie L.; Ha, Miran, et alARTICLE838 Size-dependent conformational change in halogen-pi interaction: from benzene to graphene
2017-04Effect of Chain Orientation and Stretch on the Stress Overshoot of Entangled Polymeric Materials under Start-up ShearJeong, Sohdam; Kim, Jun Mo; Baig, ChunggiARTICLE753 Effect of Chain Orientation and Stretch on the Stress Overshoot of Entangled Polymeric Materials under Start-up Shear
2017-03Molecular mechanisms of interfacial slip for polymer melts under shear flowJeong, Sohdam; Cho, Soowon; Kim, Jum Mo, et alARTICLE798 Molecular mechanisms of interfacial slip for polymer melts under shear flow
2016-11Halogen-pi Interactions between Benzene and X-2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T)Youn, Il Seung; Kim, Dong Yeon; Cho, Woo Jong, et alARTICLE688 Halogen-pi Interactions between Benzene and X-2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T)
2016-07Nonequilibrium molecular dynamics study of ring polymer melts under shear and elongation flows: A comparison with their linear analogsYoon, Jeongha; Kim, Jinseong; Baig, ChunggiARTICLE1030 Nonequilibrium molecular dynamics study of ring polymer melts under shear and elongation flows: A comparison with their linear analogs
2016-04Influence of molecular architecture on the entanglement network: topological analysis of linear, long- and short-chain branched polyethylene melts via Monte Carlo simulationsJeong, Seung Heum; Kim, Jun Mo; Yoon, Jeongha, et alARTICLE1047 Influence of molecular architecture on the entanglement network: topological analysis of linear, long- and short-chain branched polyethylene melts via Monte Carlo simulations
2016-03Torsional Linearity in Nonlinear Stress-Optical Regimes for Polymeric MaterialsBaig, ChunggiARTICLE892 Torsional Linearity in Nonlinear Stress-Optical Regimes for Polymeric Materials
2016-02Communication: Role of short chain branching in polymer structure and dynamicsKim, Jun Mo; Baig, ChunggiARTICLE773 Communication: Role of short chain branching in polymer structure and dynamics
2016-01Precise Analysis of Polymer Rotational DynamicsKim, Jun Mo; Baig, ChunggiARTICLE817 Precise Analysis of Polymer Rotational Dynamics
2013-11A hybrid kinetic Monte Carlo method for simulating silicon films grown by plasma-enhanced chemical vapor depositionTsalikis, D.G.; Baig, Chunggi; Mavrantzas, V.G., et alARTICLE1152 A hybrid kinetic Monte Carlo method for simulating silicon films grown by plasma-enhanced chemical vapor deposition
2011-09Toward an Improved Description of Constraint Release and Contour Length Fluctuations in Tube Models for Entangled Polymer Melts Guided by Atomistic SimulationsStephanou, Pavlos S.; Baig, Chunggi; Mavrantzas, Vlasis G.ARTICLE776 Toward an Improved Description of Constraint Release and Contour Length Fluctuations in Tube Models for Entangled Polymer Melts Guided by Atomistic Simulations
2011-02On Maxwell's Relations of Thermodynamics for Polymeric Liquids away from EquilibriumBaig, Chunggi; Mavrantzas, Vlasis G.; Oettinger, Hans ChristianARTICLE748 On Maxwell's Relations of Thermodynamics for Polymeric Liquids away from Equilibrium
2011-01Projection of atomistic simulation data for the dynamics of entangled polymers onto the tube theory: calculation of the segment survival probability function and comparison with modern tube modelsStephanou, Pavlos S.; Baig, Chunggi; Mavrantzas, Vlasis G.ARTICLE809 Projection of atomistic simulation data for the dynamics of entangled polymers onto the tube theory: calculation of the segment survival probability function and comparison with modern tube models
2010-12Melt Structure and Dynamics of Unentangled Polyethylene Rings Rouse Theory, Atomistic Molecular Dynamics Simulation, and Comparison with the Linear AnaloguesTsolou, Georgia; Stratikis, Nikos; Baig, Chunggi, et alARTICLE756 Melt Structure and Dynamics of Unentangled Polyethylene Rings Rouse Theory, Atomistic Molecular Dynamics Simulation, and Comparison with the Linear Analogues
2010-10Understanding Dynamics in Binary Mixtures of Entangled cis-1,4-Polybutadiene Melts at the Level of Primitive Path Segments by Mapping Atomistic Simulation Data onto the Tube ModelBaig, Chunggi; Stephanou, Pavlos S.; Tsolou, Georgia, et alARTICLE741 Understanding Dynamics in Binary Mixtures of Entangled cis-1,4-Polybutadiene Melts at the Level of Primitive Path Segments by Mapping Atomistic Simulation Data onto the Tube Model
2010-09Atomistic simulation of crystallization of a polyethylene melt in steady uniaxial extensionBaig, Chunggi; Edwards, Brian J.ARTICLE727 Atomistic simulation of crystallization of a polyethylene melt in steady uniaxial extension
2010-08Flow Effects on Melt Structure and Entanglement Network of Linear Polymers: Results from a Nonequilibrium Molecular Dynamics Simulation Study of a Polyethylene Melt in Steady ShearBaig, Chunggi; Mavrantzas, Vlasis G.; Kroger, MartinARTICLE769 Flow Effects on Melt Structure and Entanglement Network of Linear Polymers: Results from a Nonequilibrium Molecular Dynamics Simulation Study of a Polyethylene Melt in Steady Shear
2010-05Analysis of the configurational temperature of polymeric liquids under shear and elongational flows using nonequilibrium molecular dynamics and Monte Carlo simulationsBaig, Chunggi; Edwards, Brian JARTICLE727 Analysis of the configurational temperature of polymeric liquids under shear and elongational flows using nonequilibrium molecular dynamics and Monte Carlo simulations
2010-04Quantitative Analysis on the Validity of a Coarse-Grained Model for Nonequilibrium Polymeric Liquids under FlowBaig, Chunggi; Harmandaris, Vagelis A.ARTICLE833 Quantitative Analysis on the Validity of a Coarse-Grained Model for Nonequilibrium Polymeric Liquids under Flow

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