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Showing results 1 to 20 of 45

Issue DateTitleAuthor(s)TypeView
200609A comparison of simple rheological models and simulation data of n-hexadecane under shear and elongational flowsBaig, Chunggi; Jiang, B.; Edwards, B. J.; Keffer, D. J.; Cochran, H. D.ARTICLE415
200903A generalized differential constitutive equation for polymer melts based on principles of nonequilibrium thermodynamicsStephanou, Pavlos S.; Baig, Chunggi; Mavrantzas, Vlasis G.ARTICLE456
200806A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensembleKeffer, David J.; Baig, Chunggi; Adhangale, Parag; Edwards, Brian J.ARTICLE358
200604A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric-isothermal ensembleKeffer, D. J.; Baig, Chunggi; Adhangale, P.; Edwards, B. J.ARTICLE442
201311A hybrid kinetic Monte Carlo method for simulating silicon films grown by plasma-enhanced chemical vapor depositionTsalikis, D.G.; Baig, Chunggi; Mavrantzas, V.G.; Amanatides, E.; Mataras, D.ARTICLE675
200712A molecular dynamics study of the stress-optical behavior of a linear short-chain polyethylene melt under shearBaig, Chunggi; Edwards, Brian J.; Keffer, David J.ARTICLE396
200503A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flowBaig, Chunggi; Edwards, BJ; Keffer, DJ; Cochran, HDARTICLE376
200605A validation of the p-SLLOD equations of motion for homogeneous steady-state flowsEdwards, BJ; Baig, Chunggi; Keffer, DJARTICLE367
2018-02Ab initio Study of the Nature of Halogen Bonding from the X-π InteractionsBaig, Chunggi; Kim, Dong YeonMaster's thesis34
201706Adsorption of Carbon Tetrahalides on Coronene and GrapheneHa, Miran; Kim, Dong Yeon; Li, Nannan; Madridesjos, Jenica Marie L.; Park, In Kee; Youn, Il Seung; Lee, Joonho; Baig, Chunggi; Filatov, Michael; Min, Seung Kyu; Lee, Geunsik; Kim, Kwang S.ARTICLE154
201001Advanced 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.ARTICLE482
201005Analysis of the configurational temperature of polymeric liquids under shear and elongational flows using nonequilibrium molecular dynamics and Monte Carlo simulationsBaig, Chunggi; Edwards, Brian JARTICLE442
201009Atomistic simulation of crystallization of a polyethylene melt in steady uniaxial extensionBaig, Chunggi; Edwards, Brian J.ARTICLE381
201002Atomistic simulation of flow-induced crystallization at constant temperatureBaig, Chunggi; Edwards, B. J.ARTICLE323
201602Communication: Role of short chain branching in polymer structure and dynamicsKim, Jun Mo; Baig, ChunggiARTICLE287
201704Effect of Chain Orientation and Stretch on the Stress Overshoot of Entangled Polymeric Materials under Start-up ShearJeong, Sohdam; Kim, Jun Mo; Baig, ChunggiARTICLE186
201712Effect of short-chain branching on interfacial polymer structure and dynamics under shear flowJeong, Sohdam; Kim, Jun Mo; Cho, Soowon; Baig, ChunggiARTICLE95
201008Flow 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, MartinARTICLE447
2010From atomistic trajectories to primitive paths to tube models: linking atomistic simulations with the reptation theory of polymer dynamicsBaig, Chunggi; Mavrantzas, Vlasis G.ARTICLE486
201611Halogen-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; Madridejos, Jenica Marie L.; Lee, Han Myoung; Kolaski, Maciej; Lee, Joonho; Baig, Chunggi; Shin, Seung Koo; Filatov, Michael; Kim, Kwang S.ARTICLE194
Showing results 1 to 20 of 45