사진

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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
2010-03Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube modelStephanou, Pavlos S.; Baig, Chunggi; Tsolou, Georgia, et alARTICLE872 Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model
2010-02Atomistic simulation of flow-induced crystallization at constant temperatureBaig, Chunggi; Edwards, B. J.ARTICLE625 Atomistic simulation of flow-induced crystallization at constant temperature
2010-01Tension thickening, molecular shape, and flow birefringence of an H-shaped polymer melt in steady shear and planar extensionBaig, Chunggi; Mavrantzas, Vlasis G.ARTICLE641 Tension thickening, molecular shape, and flow birefringence of an H-shaped polymer melt in steady shear and planar extension
2010-01Advanced Monte Carlo Algorithm for the Atomistic Simulation of Short- and Long-Chain Branched Polymers: Implementation for Model H-Shaped, A(3)AA(3) Multiarm (Pom-Pom), and Short-Chain Branched Polyethylene MeltsBaig, Chunggi; Alexiadis, Orestis; Mavrantzas, Vlasis G.ARTICLE787 Advanced Monte Carlo Algorithm for the Atomistic Simulation of Short- and Long-Chain Branched Polymers: Implementation for Model H-Shaped, A(3)AA(3) Multiarm (Pom-Pom), and Short-Chain Branched Polyethylene Melts
2010From atomistic trajectories to primitive paths to tube models: linking atomistic simulations with the reptation theory of polymer dynamicsBaig, Chunggi; Mavrantzas, Vlasis G.ARTICLE857 From atomistic trajectories to primitive paths to tube models: linking atomistic simulations with the reptation theory of polymer dynamics
2009-04Multiscale simulation of polymer melt viscoelasticity: Expanded-ensemble Monte Carlo coupled with atomistic nonequilibrium molecular dynamicsBaig, Chunggi; Mavrantzas, Vlasis G.ARTICLE624 Multiscale simulation of polymer melt viscoelasticity: Expanded-ensemble Monte Carlo coupled with atomistic nonequilibrium molecular dynamics
2009-03A generalized differential constitutive equation for polymer melts based on principles of nonequilibrium thermodynamicsStephanou, Pavlos S.; Baig, Chunggi; Mavrantzas, Vlasis G.ARTICLE854 A generalized differential constitutive equation for polymer melts based on principles of nonequilibrium thermodynamics
2008-06A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensembleKeffer, David J.; Baig, Chunggi; Adhangale, Parag, et alARTICLE650 A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble
2007-12Thermodynamically guided nonequilibrium Monte Carlo method for generating realistic shear flows in polymeric systemsBaig, Chunggi; Mavrantzas, V. G.ARTICLE538 Thermodynamically guided nonequilibrium Monte Carlo method for generating realistic shear flows in polymeric systems
2007-12A molecular dynamics study of the stress-optical behavior of a linear short-chain polyethylene melt under shearBaig, Chunggi; Edwards, Brian J.; Keffer, David J.ARTICLE723 A molecular dynamics study of the stress-optical behavior of a linear short-chain polyethylene melt under shear
2006-09A comparison of simple rheological models and simulation data of n-hexadecane under shear and elongational flowsBaig, Chunggi; Jiang, B.; Edwards, B. J., et alARTICLE771 A comparison of simple rheological models and simulation data of n-hexadecane under shear and elongational flows
2006-05A validation of the p-SLLOD equations of motion for homogeneous steady-state flowsEdwards, BJ; Baig, Chunggi; Keffer, DJARTICLE692 A validation of the p-SLLOD equations of motion for homogeneous steady-state flows
2006-04A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric-isothermal ensembleKeffer, D. J.; Baig, Chunggi; Adhangale, P., et alARTICLE720 A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric-isothermal ensemble
2006-02Rheological and structural studies of linear polyethylene melts under planar elongational flow using nonequilibrium molecular dynamics simulationsBaig, Chunggi; Edwards, BJ; Keffer, DJ, et alARTICLE721 Rheological and structural studies of linear polyethylene melts under planar elongational flow using nonequilibrium molecular dynamics simulations
2006-01Structure formation under steady-state isothermal planar elongational flow of n-eicosane: A comparison between simulation and experimentIonescu, TC; Baig, Chunggi; Edwards, BJ, et alARTICLE565 Structure formation under steady-state isothermal planar elongational flow of n-eicosane: A comparison between simulation and experiment
2005-09An examination of the validity of nonequilibrium molecular-dynamics simulation algorithms for arbitrary steady-state flowsEdwards, BJ; Baig, C; Keffer, DJARTICLE608 An examination of the validity of nonequilibrium molecular-dynamics simulation algorithms for arbitrary steady-state flows
2005-05Rheological and structural studies of liquid decane, hexadecane, and tetracosane under planar elongational flow using nonequilibrium molecular-dynamics simulationsBaig, Chunggi; Edwards, BJ; Keffer, DJ, et alARTICLE785 Rheological and structural studies of liquid decane, hexadecane, and tetracosane under planar elongational flow using nonequilibrium molecular-dynamics simulations
2005-03A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flowBaig, Chunggi; Edwards, BJ; Keffer, DJ, et alARTICLE732 A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flow
2004-12Structure of a sheared soft-disk fluid from a nonequilibrium potentialBaig, Chunggi; Kalyuzhnyi, YV; Cui, ST, et alARTICLE714 Structure of a sheared soft-disk fluid from a nonequilibrium potential

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