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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

Macromolecules, 2003-02, Vol.36 (4), p.1376-1387

2003

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A hybrid kinetic Monte Carlo method for simulating silicon films grown by plasma-enhanced chemical vapor deposition

The Journal of chemical physics, 2013-11, Vol.139 (20), p.204706-204706

2013

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Thermodynamically guided nonequilibrium Monte Carlo method for generating realistic shear flows in polymeric systems

Physical review letters, 2007-12, Vol.99 (25), p.257801-257801, Article 257801

2007

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End-Bridging Monte Carlo: A Fast Algorithm for Atomistic Simulation of Condensed Phases of Long Polymer Chains

Macromolecules, 1999-07, Vol.32 (15), p.5072-5096

1999

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Atomistic Molecular Dynamics Simulation of Polydisperse Linear Polyethylene Melts

Macromolecules, 1998-11, Vol.31 (22), p.7934-7943

1998

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Atomistic Monte Carlo simulation of cis -1,4 polyisoprene melts. II. Parallel tempering end-bridging Monte Carlo simulations

The Journal of chemical physics, 2001-12, Vol.115 (24), p.11352-11361

2001

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Energetic and entropic elasticity of nonisothermal flowing polymers: Experiment, theory, and simulation

Journal of rheology (New York : 1978), 2008-01, Vol.52 (1), p.105-140

2008

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Atomistic Simulation of Polymer Melt Elasticity: Calculation of the Free Energy of an Oriented Polymer Melt

Macromolecules, 1998-09, Vol.31 (18), p.6310-6332

1998

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Atomistic molecular dynamics simulation of diffusion in binary liquid n -alkane mixtures

The Journal of chemical physics, 2002-05, Vol.116 (17), p.7656-7665

2002

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Atomistic simulation of energetic and entropic elasticity in short-chain polyethylenes

Journal of rheology (New York : 1978), 2008-03, Vol.52 (2), p.567-589

2008

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Detailed molecular dynamics simulation of the self-diffusion of n -alkane and cis -1,4 polyisoprene oligomer melts

The Journal of chemical physics, 2002-01, Vol.116 (1), p.436-446

2002

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Atomistic Monte Carlo simulation of cis -1,4 polyisoprene melts. I. Single temperature end-bridging Monte Carlo simulations

The Journal of chemical physics, 2001-12, Vol.115 (24), p.11339-11351

2001

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Directed Bridging Methods for Fast Atomistic Monte Carlo Simulations of Bulk Polymers

Macromolecules, 2001-11, Vol.34 (24), p.8554-8568

2001

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Atomic structure of a high polymer melt

Europhysics letters, 2002-02, Vol.57 (4), p.506-511

2002

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Quantitative predictions of the linear viscoelastic properties of entangled polyethylene and polybutadiene melts via modified versions of modern tube models on the basis of atomistic simulation data

Journal of non-Newtonian fluid mechanics, 2013-10, Vol.200, p.111-130

2013

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Insights into the morphology of multicomponent organic and inorganic aerosols from molecular dynamics simulations

Atmospheric chemistry and physics, 2019-04, Vol.19 (8), p.5571-5587

2019

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Molecular Dynamics Simulation of a Polymer Melt/Solid Interface: Local Dynamics and Chain Mobility in a Thin Film of Polyethylene Melt Adsorbed on Graphite

Macromolecules, 2005-06, Vol.38 (13), p.5796-5809

2005

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Stress gradient-induced migration effects in the Taylor–Couette flow of a dilute polymer solution

Journal of non-Newtonian fluid mechanics, 2002-02, Vol.102 (2), p.409-445

2002

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Detailed Atomistic Simulation of a Polymer Melt/Solid Interface: Structure, Density, and Conformation of a Thin Film of Polyethylene Melt Adsorbed on Graphite

Macromolecules, 2005-06, Vol.38 (13), p.5780-5795

2005

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A new Monte Carlo simulation approach for the prediction of sorption equilibria of oligomers in polymer melts: Solubility of long alkanes in linear polyethylene

The Journal of chemical physics, 2001-08, Vol.115 (6), p.2860-2875

2001

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Detailed atomistic molecular-dynamics simulation of the orthorhombic phase of crystalline polyethylene and alkane crystals

The Journal of chemical physics, 2001-08, Vol.115 (8), p.3937-3950

2001

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Atomistic simulation of the birefringence of uniaxially stretched polyethylene melts

Computational & theoretical polymer science, 2000-03, Vol.10 (1-2), p.1-13

2000

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Detailed Atomistic Molecular Dynamics Simulation of cis-1,4-Poly(butadiene)

Macromolecules, 2005-02, Vol.38 (4), p.1478-1492

2005

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A novel Monte Carlo scheme for the rapid equilibration of atomistic model polymer systems of precisely defined molecular architecture

Physical review letters, 2002-03, Vol.88 (10), p.105503-105503, Article 105503

2002

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Detailed Atomistic Simulation of the Segmental Dynamics and Barrier Properties of Amorphous Poly(ethylene terephthalate) and Poly(ethylene isophthalate)

Macromolecules, 2004-04, Vol.37 (8), p.2978-2995

2004

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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

A hybrid kinetic Monte Carlo method for simulating silicon films grown by plasma-enhanced chemical vapor deposition

Thermodynamically guided nonequilibrium Monte Carlo method for generating realistic shear flows in polymeric systems

End-Bridging Monte Carlo: A Fast Algorithm for Atomistic Simulation of Condensed Phases of Long Polymer Chains

Atomistic Molecular Dynamics Simulation of Polydisperse Linear Polyethylene Melts

Atomistic Monte Carlo simulation of cis -1,4 polyisoprene melts. II. Parallel tempering end-bridging Monte Carlo simulations

Energetic and entropic elasticity of nonisothermal flowing polymers: Experiment, theory, and simulation

Atomistic Simulation of Polymer Melt Elasticity: Calculation of the Free Energy of an Oriented Polymer Melt

Atomistic molecular dynamics simulation of diffusion in binary liquid n -alkane mixtures

Atomistic simulation of energetic and entropic elasticity in short-chain polyethylenes

Detailed molecular dynamics simulation of the self-diffusion of n -alkane and cis -1,4 polyisoprene oligomer melts

Atomistic Monte Carlo simulation of cis -1,4 polyisoprene melts. I. Single temperature end-bridging Monte Carlo simulations

Directed Bridging Methods for Fast Atomistic Monte Carlo Simulations of Bulk Polymers

Atomic structure of a high polymer melt

Quantitative predictions of the linear viscoelastic properties of entangled polyethylene and polybutadiene melts via modified versions of modern tube models on the basis of atomistic simulation data

Insights into the morphology of multicomponent organic and inorganic aerosols from molecular dynamics simulations

Molecular Dynamics Simulation of a Polymer Melt/Solid Interface: Local Dynamics and Chain Mobility in a Thin Film of Polyethylene Melt Adsorbed on Graphite

Stress gradient-induced migration effects in the Taylor–Couette flow of a dilute polymer solution

Detailed Atomistic Simulation of a Polymer Melt/Solid Interface: Structure, Density, and Conformation of a Thin Film of Polyethylene Melt Adsorbed on Graphite

A new Monte Carlo simulation approach for the prediction of sorption equilibria of oligomers in polymer melts: Solubility of long alkanes in linear polyethylene

Detailed atomistic molecular-dynamics simulation of the orthorhombic phase of crystalline polyethylene and alkane crystals

Atomistic simulation of the birefringence of uniaxially stretched polyethylene melts

Detailed Atomistic Molecular Dynamics Simulation of cis-1,4-Poly(butadiene)

A novel Monte Carlo scheme for the rapid equilibration of atomistic model polymer systems of precisely defined molecular architecture

Detailed Atomistic Simulation of the Segmental Dynamics and Barrier Properties of Amorphous Poly(ethylene terephthalate) and Poly(ethylene isophthalate)

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