Theoretical reconstruction of realistic dynamics of highly coarse-grained cis-1,4-polybutadiene melts

Statistical mechanics of coarse graining: Estimating dynamical speedups from excess entropies

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Thermodynamic Consistency in Variable-Level Coarse Graining of Polymeric Liquids

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A predictive multiscale computational framework for viscoelastic properties of linear polymers

(2012) Ying Li et al.   POLYMER

Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology

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First-principle approach to rescale the dynamics of simulated coarse-grained macromolecular liquids

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Analytical rescaling of polymer dynamics from mesoscale simulations

(2010) I. Y. Lyubimov et al.   JOURNAL OF CHEMICAL PHYSICS

Mapping of polymer melts onto liquids of soft-colloidal chains

(2010) A. J. Clark et al.   JOURNAL OF CHEMICAL PHYSICS

Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model

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Molecularly derived constitutive equation for low-molecular polymer melts from thermodynamically guided simulation

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Effective Soft-Core Potentials and Mesoscopic Simulations of Binary Polymer Mixtures

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Multiscale Modeling of Coarse-Grained Macromolecular Liquids

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Systematic time-scale-bridging molecular dynamics applied to flowing polymer melts

(2009) Patrick Ilg et al.   PHYSICAL REVIEW E

Predicting polymer dynamics at multiple length and time scales

(2009) Vagelis A. Harmandaris et al.   Soft Matter

Cooperative Dynamics in Homopolymer Melts: A Comparison of Theoretical Predictions with Neutron Spin Echo Experiments†

(2008) M. Zamponi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cooperative dynamics in polymer melts from the unentangled to the entangled regime

(2008) P. Debnath et al.   PHILOSOPHICAL MAGAZINE

Molecular dynamics simulation of temperature and pressure effects on the intermediate length scale dynamics and zero shear rate viscosity of cis-1,4-polybutadiene: Rouse mode analysis and dynamic structure factor spectra

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