Challenges in Multiscale Modeling of Polymer Dynamics (Q58051777)

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

A Theory of the Linear Viscoelastic Properties of Dilute Solutions of Coiling Polymers

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Tube theory of entangled polymer dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Quantitative Theory for Linear Dynamics of Linear Entangled Polymers

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Simple models for complex nonequilibrium fluids

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

A thermodynamically admissible reptation model for fast flows of entangled polymers. II. Model predictions for shear and extensional flows

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

The statistical mechanics of polymerized material

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Reptation of a Polymer Chain in the Presence of Fixed Obstacles

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Atomistic simulations of spinodal phase separation preceding polymer crystallization

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

How good are coarse-grained polymer models? A comparison for atactic polystyrene.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Emerging applications of stimuli-responsive polymer materials

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Theoretical considerations on mechanisms of harvesting cells cultured on thermoresponsive polymer brushes

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Morphology Control of Hairy Nanopores

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Effect of charge, hydrophobicity, and sequence of nucleoporins on the translocation of model particles through the nuclear pore complex

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

"Learn on the fly": a hybrid classical and quantum-mechanical molecular dynamics simulation.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Understanding Dynamics in Binary Mixtures of Entangledcis-1,4-Polybutadiene Melts at the Level of Primitive Path Segments by Mapping Atomistic Simulation Data onto the Tube Model

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Dynamic heterogeneity in fully miscible blends of polystyrene with oligostyrene.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Crossover from the Rouse to the Entangled Polymer Melt Regime: Signals from Long, Detailed Atomistic Molecular Dynamics Simulations, Supported by Rheological Experiments

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

A single particle model to simulate the dynamics of entangled polymer melts.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Multiscale modeling of coarse-grained macromolecular liquids.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Multiscale modeling of polymer rheology.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

A predictive multiscale computational framework for viscoelastic properties of linear polymers

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Thermomechanical properties of the WCA–Lennard-Jones model system in its fluid and solid states

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Linear Viscoelastic Behavior of Unentangled Polymer Melts via Non-Equilibrium Molecular Dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Effects of entanglements on the single-chain motion of polymer molecules in melt samples observed by neutron scattering

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Molecular dynamics of model liquid crystals composed of semiflexible molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Formation of double helical and filamentous structures in models of physical and chemical gels

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Direct Observation of the Dynamics of Semiflexible Polymers in Shear Flow

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Viscoelasticity and primitive path analysis of entangled polymer liquids: from F-actin to polyethylene.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Wormlike micelles under shear flow: A microscopic model studied by nonequilibrium-molecular-dynamics computer simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Deviations from dynamic dilution in the terminal relaxation of star polymers.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Molecular modelling of entanglement.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Multi-chain slip-spring model for entangled polymer dynamics.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Statics, linear, and nonlinear dynamics of entangled polystyrene melts simulated through the primitive chain network model.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Effective force coarse-graining

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

The relative entropy is fundamental to multiscale and inverse thermodynamic problems

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Reference state for the generalized Yvon-Born-Green theory: application for coarse-grained model of hydrophobic hydration

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Multiscale coarse graining of liquid-state systems

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Multiscale coarse-graining and structural correlations: connections to liquid-state theory

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Primitive chain network study on uncrosslinked and crosslinked cis-polyisoprene polymers

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Systematic Coarse-Graining of a Polymer Blend: Polyisoprene and Polystyrene

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Stereochemistry of polypeptide chain configurations

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Mapping atomistic simulations to mesoscopic models: a systematic coarse-graining procedure for vinyl polymer chains.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

IBIsCO: a molecular dynamics simulation package for coarse-grained simulation.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Deriving effective mesoscale potentials from atomistic simulations.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Coarse-grained model for phospholipid/cholesterol bilayer employing inverse Monte Carlo with thermodynamic constraints

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Use of the Ornstein-Zernike Percus-Yevick equation to extract interaction potentials from pair correlation functions.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Speed up of dynamic observables in coarse-grained molecular-dynamics simulations of unentangled polymers.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Dynamic evolution in coarse-grained molecular dynamics simulations of polyethylene melts.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

A comparison of united atom, explicit atom, and coarse-grained simulation models for poly(ethylene oxide).

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Comparison of explicit atom, united atom, and coarse-grained simulations of poly(methyl methacrylate).

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Transferability of coarse-grained force fields: the polymer case.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Chain dynamics of poly(ethylene-alt-propylene) melts by means of coarse-grained simulations based on atomistic molecular dynamics.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Topological analysis of polymeric melts: chain-length effects and fast-converging estimators for entanglement length

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Entanglements and Dynamics of Polymer Melts near a SWCNT

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

A highly coarse-grained model to simulate entangled polymer melts.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Projection from an atomistic chain contour to its primitive path

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Thermodynamic consistency in variable-level coarse graining of polymeric liquids.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Primitive Path Identification and Entanglement Statistics in Polymer Melts: Results from Direct Topological Analysis on Atomistic Polyethylene Models

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: methodology and performance.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Topological versus rheological entanglement length in primitive-path analysis protocols, tube models, and slip-link models.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Primitive Path Networks Generated by Annealing and Geometrical Methods: Insights into Differences

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Derivation of free energy expressions for tube models from coarse-grained slip-link models.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Primitive-path statistics of entangled polymers: mapping multi-chain simulations onto single-chain mean-field models

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Enhanced Landau-de Gennes potential for nematic liquid crystals from a systematic coarse-graining procedure

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Ideal contribution to the macroscopic quasiequilibrium entropy of anisotropic fluids

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Canonical distribution functions in polymer dynamics. (II). Liquid-crystalline polymers

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Magnetoviscosity of semidilute ferrofluids and the role of dipolar interactions: Comparison of molecular simulations and dynamical mean-field theory

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Magnetoviscous model fluids

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Automated symbolic calculations in nonequilibrium thermodynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Rheology and structural changes of polymer melts via nonequilibrium molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Nanoparticle Geometrical Effect on Structure, Dynamics and Anisotropic Viscosity of Polyethylene Nanocomposites

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Nanoparticle Effect on the Dynamics of Polymer Chains and Their Entanglement Network

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Structure, Dimensions, and Entanglement Statistics of Long Linear Polyethylene Chains

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Non-affine deformations in polymer hydrogels

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Shear banding in molecular dynamics of polymer melts.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Screening of hydrodynamic interactions in semidilute polymer solutions: a computer simulation study.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

The distribution of glass-transition temperatures in nanoscopically confined glass formers

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Glass transition dynamics and surface layer mobility in unentangled polystyrene films.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Low-Field NMR Investigations of Nanocomposites: Polymer Dynamics and Network Effects

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Recent progress on polymer dynamics by neutron scattering: From simple polymers to complex materials

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Structure, surface excess and effective interactions in polymer nanocomposite melts and concentrated solutions.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Computer simulations of amorphous polymers: From quantum mechanical calculations to mesoscopic models

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Analytical Rheology of Polymer Melts: State of the Art

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Systematic coarse-graining methods for soft matter simulations – a review

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Reptational dynamics in dissipative particle dynamics simulations of polymer melts

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751

Kirkwood–Buff Coarse-Grained Force Fields for Aqueous Solutions

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FPOLYM5020751