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Predicting polymer dynamics at multiple length and time scales

https://doi.org/10.1039/b905361a
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Bridging the Gap Between Atomistic and Coarse-Grained Models of Polymers: Status and Perspectives
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The chain length dependence of self-diffusion in melts of polyethylene and polystyrene
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GROMACS: A message-passing parallel molecular dynamics implementation
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Evaluation of different methods for the determination of the plateau modulus and the entanglement molecular weight
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Mapping Atomistic to Coarse-Grained Polymer Models Using Automatic Simplex Optimization To Fit Structural Properties
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Crossover from the Rouse to the Entangled Polymer Melt Regime: Signals from Long, Detailed Atomistic Molecular Dynamics Simulations, Supported by Rheological Experiments
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Self-Diffusion and Viscosity of Low Molecular Weight Polystyrene over a Wide Temperature Range
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NMR Experiments and Molecular Dynamics Simulations of the Segmental Dynamics of Polystyrene
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Single-Chain Slip-Link Model of Entangled Polymers: Simultaneous Description of Neutron Spin−Echo, Rheology, and Diffusion
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Hierarchical Modeling of Polystyrene: From Atomistic to Coarse-Grained Simulations
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Self- and Collective Dynamics of Syndiotactic Poly(methyl methacrylate). A Combined Study by Quasielastic Neutron Scattering and Atomistic Molecular Dynamics Simulations
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Local Dynamics of Syndiotactic Poly(methyl methacrylate) Using Molecular Dynamics Simulation
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Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations
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Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations
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Chain and local dynamics of polyisoprene as probed by experiments and computer simulations
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Equilibration of long chain polymer melts in computer simulations
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Speed up of dynamic observables in coarse-grained molecular-dynamics simulations of unentangled polymers
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Incorporating a hydrophobic solid into a coarse grain liquid framework: Graphite in an aqueous amphiphilic environment
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Modeling real dynamics in the coarse-grained representation of condensed phase systems
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A single particle model to simulate the dynamics of entangled polymer melts
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Short-range order and collective dynamics of poly(vinyl acetate): A combined study by neutron scattering and molecular dynamics simulations
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Tube theory of entangled polymer dynamics
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Molecular modelling of entanglement
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Chain Motion in an Unentangled Polyethylene Melt: A Critical Test of the Rouse Model by Molecular Dynamics Simulations and Neutron Spin Echo Spectroscopy
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Reconciliation of the Molecular Weight Dependence of Diffusion and Viscosity in Entangled Polymers
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Rheology and Microscopic Topology of Entangled Polymeric Liquids

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Development of a systematic coarse-grained model for poly(caprolactone) in melt
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How Much Can We Coarse-Grain while Retaining the Chemical Specificity? A Study of Sulfonated Poly(ether ether ketone)
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Scalability of Coarse‐Grained Potentials Generated from Iterative Boltzmann Inversion for Polymers: Case Study on Polycarbonates
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Thermodynamically consistent coarse graining the non-equilibrium dynamics of unentangled polymer melts
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Coarse-grained molecular-dynamics simulations of nanoparticle diffusion in polymer nanocomposites
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Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers
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Coarse-Grained Modeling of Polyethylene Melts: Effect on Dynamics
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Significant Increase in Electrical Transport of Conducting Polymers Confined in Alumina Nanopores
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Dynamics of Long Entangled Polyisoprene MeltsviaMultiscale Modeling
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The Role of Nanoparticle Rigidity on the Diffusion of Linear Polystyrene in a Polymer Nanocomposite
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Modeling Chain Relaxation in Moderately Entangled Polyisoprene Melts
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Coarse-Grained Water Model Development for Accurate Dynamics and Structure Prediction
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Effect of Solvent on the Self-Assembly of Dialanine and Diphenylalanine Peptides
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Quantitative Analysis on the Validity of a Coarse-Grained Model for Nonequilibrium Polymeric Liquids under Flow
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Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments
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Structure and Dynamics Properties at Interphase Region in the Composite of Polystyrene and Cross-Linked Polystyrene Soft Nanoparticle
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Structural and Dynamical Properties of Polystyrene Thin Films Supported by Multiple Graphene Layers
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Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities
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Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back
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Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution
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Theoretical reconstruction of realistic dynamics of highly coarse-grainedcis-1,4-polybutadiene melts
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Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields
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Coarse-grained peptide models: conformational sampling, peptide association and dynamical properties for peptides
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Simulation multi-échelle de l'interaction polymère-charge
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