Combined Molecular Algorithms for the Generation, Equilibration and Topological Analysis of Entangled Polymers: Methodology and Performance

Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts

(2009) Paola Carbone et al.   FARADAY DISCUSSIONS

The characteristic crystallographic element norm: A descriptor of local structure in atomistic and particulate systems

(2009) Nikos Ch. Karayiannis et al.   JOURNAL OF CHEMICAL PHYSICS

Entanglement network in nanoparticle reinforced polymers

(2009) Robert A. Riggleman et al.   JOURNAL OF CHEMICAL PHYSICS

The structure of random packings of freely jointed chains of tangent hard spheres

(2009) Nikos Ch. Karayiannis et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

(2009) Vagelis A. Harmandaris et al.   MACROMOLECULES

Onset of Entanglements Revisited. Topological Analysis

(2009) C. Tzoumanekas et al.   MACROMOLECULES

Onset of Entanglements Revisited. Dynamical Analysis

(2009) F. Lahmar et al.   MACROMOLECULES

Dense sphere packings from optimized correlation functions

(2009) Adam B. Hopkins et al.   PHYSICAL REVIEW E

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

(2009) Patrick Ilg et al.   PHYSICAL REVIEW E

Contact network in nearly jammed disordered packings of hard-sphere chains

(2009) Nikos Ch. Karayiannis et al.   PHYSICAL REVIEW E

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

(2009) Robert S. Hoy et al.   PHYSICAL REVIEW E

Entangled chain dynamics of polymer knots in extensional flow

(2009) Demosthenes Kivotides et al.   PHYSICAL REVIEW E

Entropy-Driven Crystallization in Dense Systems of Athermal Chain Molecules

(2009) Nikos Ch. Karayiannis et al.   PHYSICAL REVIEW LETTERS

Random packing of model polymers: local structure, topological hindrance and universal scaling

(2009) Manuel Laso et al.   Soft Matter

Equilibrium statistical distributions for subchains in an entangled polymer melt

(2008) F. Greco   EUROPEAN PHYSICAL JOURNAL E

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

(2008) Takatoshi Yaoita et al.   JOURNAL OF CHEMICAL PHYSICS

Flexible chain molecules in the marginal and concentrated regimes: Universal static scaling laws and cross-over predictions

(2008) Manuel Laso et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2008) Nariya Uchida et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2008) Carlos Alemán et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Molecular Simulation of the Effect of Temperature and Architecture on Polyethylene Barrier Properties†

(2008) Patricia Gestoso et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

(2008) Katerina Foteinopoulou et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Connectivity and Entanglement Stress Contributions in Strained Polymer Networks

(2008) Carsten Svaneborg et al.   MACROMOLECULES

Linear and Nonlinear Rheology of Dendritic Star Polymers: Experiment

(2008) Jung Hun Lee et al.   MACROMOLECULES

Entanglement Relaxation Time in Polyethylene: Simulation versus Experimental Data

(2008) Javier Ramos et al.   MACROMOLECULES

Monte Carlo Scheme for Generation and Relaxation of Dense and Nearly Jammed Random Structures of Freely Jointed Hard-Sphere Chains

(2008) Nikos Ch. Karayiannis et al.   MACROMOLECULES

Unexpected power-law stress relaxation of entangled ring polymers

(2008) M. Kapnistos et al.   NATURE MATERIALS

Structural and entropic insights into the nature of the random-close-packing limit

(2008) A. V. Anikeenko et al.   PHYSICAL REVIEW E

Analytic Expressions for the Statistics of the Primitive-Path Length in Entangled Polymers

(2008) Renat N. Khaliullin et al.   PHYSICAL REVIEW LETTERS

Dense and Nearly Jammed Random Packings of Freely Jointed Chains of Tangent Hard Spheres

(2008) Nikos Ch. Karayiannis et al.   PHYSICAL REVIEW LETTERS

Universal Scaling, Entanglements, and Knots of Model Chain Molecules

(2008) Katerina Foteinopoulou et al.   PHYSICAL REVIEW LETTERS

Rheological and entanglement characteristics of linear-chain polyethylene liquids in planar Couette and planar elongational flows

(2007) J.M. Kim et al.   JOURNAL OF NON-NEWTONIAN FLUID MECHANICS