Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies
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February 2016 |
Multiscale modeling of soft matter: scaling of dynamics
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January 2011 |
Mori–Zwanzig formalism as a practical computational tool
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January 2010 |
Rheological Evidence for a Dynamical Crossover in Polymer Melts via Nonequilibrium Molecular Dynamics
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July 2000 |
Entanglement interactions in polymers and the chain contour concentration
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October 1981 |
Connection between Polymer Molecular Weight, Density, Chain Dimensions, and Melt Viscoelastic Properties
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August 1994 |
Dynamic force matching: A method for constructing dynamical coarse-grained models with realistic time dependence
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April 2015 |
Analytical rescaling of polymer dynamics from mesoscale simulations
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June 2010 |
Challenges in Multiscale Modeling of Polymer Dynamics
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June 2013 |
Packing Length Influence in Linear Polymer Melts on the Entanglement, Critical, and Reptation Molecular Weights
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October 1999 |
A test of systematic coarse-graining of molecular dynamics simulations: Transport properties
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September 2013 |
Molecular dynamics of linear and branched alkanes
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October 1995 |
Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers
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January 2011 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Predicting polymer dynamics at multiple length and time scales
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January 2009 |
Analytic embedded-atom potentials for fcc metals: Application to liquid and solid copper
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February 1991 |
Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations
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February 2009 |
An enhanced entangled polymer model for dissipative particle dynamics
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April 2012 |
Entanglement constraints in polymer melts. A neutron spin echo study
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November 1992 |
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes
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March 1998 |
Reversible multiple time scale molecular dynamics
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August 1992 |
Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back
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September 2002 |
Modeling real dynamics in the coarse-grained representation of condensed phase systems
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October 2006 |
Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations
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July 2002 |
An optimized united atom model for simulations of polymethylene melts
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July 1995 |
Optimized intermolecular potential functions for liquid hydrocarbons
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October 1984 |
Obtaining fully dynamic coarse-grained models from MD
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January 2011 |
Simple model for chain packing and crystallization of soft colloidal polymers
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July 2013 |
Mapping Atomistic Simulations to Mesoscopic Models: A Systematic Coarse-Graining Procedure for Vinyl Polymer Chains
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October 2005 |
Systematic coarse-graining of atomistic models for simulation of polymeric systems
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October 2005 |
Dynamics of entangled linear polymer melts: A molecular‐dynamics simulation
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April 1990 |
Optimization of the OPLS-AA Force Field for Long Hydrocarbons
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March 2012 |
Clear Evidence of Reptation in Polyethylene from Neutron Spin-Echo Spectroscopy
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July 1998 |
Static and dynamic properties of large polymer melts in equilibrium
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April 2016 |
Uncrossability constraints in mesoscopic polymer melt simulations: Non-Rouse behavior of C120H242
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August 2001 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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January 1996 |
Reptation and Contour-Length Fluctuations in Melts of Linear Polymers
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July 1998 |
A coarse-graining procedure for flexible polymer chains with bonded and nonbonded interactions
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May 2002 |
Speed up of dynamic observables in coarse-grained molecular-dynamics simulations of unentangled polymers
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September 2005 |
Rheology and reptation of linear polymers. Ultrahigh molecular weight chain dynamics in the melt
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May 2004 |
On the simulation of vapor–liquid equilibria for alkanes
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June 1998 |
Development and application of a particle-particle particle-mesh Ewald method for dispersion interactions
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November 2012 |
Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back
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January 2009 |
Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis -polybutadiene
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October 2004 |
A Multiscale Coarse-Graining Method for Biomolecular Systems
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February 2005 |
An Automatic Coarse-Graining and Fine-Graining Simulation Method: Application on Polyethylene
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November 2006 |
Coarse-grained simulations of moderately entangled star polyethylene melts
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June 2013 |
Properties of amorphous and crystallizable hydrocarbon polymers. I. Melt rheology of fractions of linear polyethylene
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July 1979 |
The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations
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July 2007 |
Chain dimensions and entanglement spacings in dense macromolecular systems
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May 1999 |
Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology
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May 2011 |
The relative entropy is fundamental to multiscale and inverse thermodynamic problems
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October 2008 |
Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow
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June 2003 |
Dynamics of n-alkanes: Comparison to Rouse model
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July 1998 |
Coarse-grained simulations of amorphous and melted polyethylene
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February 2007 |
Theoretical reconstruction of realistic dynamics of highly coarse-grained cis -1,4-polybutadiene melts
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March 2013 |
Mesoscale model of polymer melt structure: Self-consistent mapping of molecular correlations to coarse-grained potentials
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March 2005 |
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
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January 2009 |
Quantitative Analysis on the Validity of a Coarse-Grained Model for Nonequilibrium Polymeric Liquids under Flow
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April 2010 |
Hybrid Approaches to Coarse-Graining using the VOTCA Package: Liquid Hexane
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May 2011 |
Challenges in Multiscale Modeling of Polymer Dynamics
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January 2013 |
Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology
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January 2011 |
Analytical Rescaling of Polymer Dynamics from Mesoscale Simulations
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January 2011 |
Theoretical Reconstruction of Realistic Dynamics of Highly Coarse-Grained cis-1,4-Polybutadiene Melts
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January 2013 |