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Molecular Simulation of Thermoplastic Polyurethanes under Large Tensile Deformation

Macromolecules, 2018-03, Vol.51 (5), p.1850-1864

2018

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Simulation of the structure and mechanics of crystalline 4,4′-diphenylmethane diisocyanate (MDI) with n-butanediol (BDO) as chain extender

Polymer (Guilford), 2016-12, Vol.107, p.233-239

2016

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Closed-Form Coexistence Equation for Phase Separation of Polymeric Mixtures in Dissipative Particle Dynamics

The journal of physical chemistry. B, 2021-07, Vol.125 (27), p.7485-7498

2021

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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Computer physics communications, 2022-02, Vol.271 (C), p.108171, Article 108171

2022

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Effects of Coarse-Graining on Molecular Simulation of Craze Formation in Polymer Glass

Macromolecules, 2022-02, Vol.55 (4), p.1267-1278

2022

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Atomistic Simulation of a Thermoplastic Polyurethane and Micromechanical Modeling

Macromolecules, 2017-09, Vol.50 (18), p.7399-7409

2017

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Atomistic Simulation of the Structure and Mechanics of a Semicrystalline Polyether

Macromolecules, 2016-08, Vol.49 (15), p.5714-5726

2016

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Molecular Simulation of Thermoplastic Polyurethanes under Large Compressive Deformation

Macromolecules, 2018-11, Vol.51 (22), p.9306-9316

2018

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Effect of Short Chain Branching on the Interlamellar Structure of Semicrystalline Polyethylene

Macromolecules, 2017-02, Vol.50 (3), p.1206-1214

2017

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Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

Journal of chemical information and modeling, 2022-12, Vol.62 (23), p.6094-6104

2022

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Temperature-Dependent Thermal and Elastic Properties of the Interlamellar Phase of Semicrystalline Polyethylene by Molecular Simulation

Macromolecules, 2006-01, Vol.39 (1), p.439-447

2006

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Simulation of the Mechanical Strength of a Single Collagen Molecule

Biophysical journal, 2008-07, Vol.95 (1), p.33-39

2008

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Morphology and Dynamics in Hydroxide-Conducting Polysulfones

ACS applied polymer materials, 2022-04, Vol.4 (4), p.2470-2480

2022

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Multiscale Materials Modeling in an Industrial Environment

Annual review of chemical and biomolecular engineering, 2016-06, Vol.7 (1), p.65-86

2016

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Mesoscale hydrodynamics via stochastic rotation dynamics: Comparison with Lennard-Jones fluid

The Journal of chemical physics, 2010-05, Vol.132 (17), p.174106-174106-10

2010

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All-atomic and coarse-grained molecular dynamics investigation of deformation in semi-crystalline lamellar polyethylene

Polymer (Guilford), 2018-09, Vol.153, p.305-316

2018

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Accurate Force Fields for Atomistic Simulations of Oxides, Hydroxides, and Organic Hybrid Materials up to the Micrometer Scale

Journal of chemical theory and computation, 2023-11, Vol.19 (22), p.8293-8322

2023

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Corrigendum to “Simulation of the structure and mechanics of crystalline 4,4′- diphenylmethane diisocyanate (MDI) with n-butanediol (BDO) as chain extender” [Polymer 107 (2016) 233–239]

Polymer (Guilford), 2021-01, Vol.213, p.123337, Article 123337

2021

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A molecular simulation study of cavity size distributions and diffusion in para and meta isomers

Polymer (Guilford), 2005-10, Vol.46 (21), p.9155-9161

2005

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Temperature-Dependent Elasticity of a Semicrystalline Interphase Composed of Freely Rotating Chains

Macromolecules, 2003-09, Vol.36 (19), p.7358-7365

2003

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Monte Carlo Simulation of Interlamellar Isotactic Polypropylene

Macromolecules, 2007-07, Vol.40 (14), p.5187-5195

2007

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Application of Ewald summations to long-range dispersion forces

The Journal of chemical physics, 2007-10, Vol.127 (14), p.144711-144711-8

2007

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Liquid-vapor coexistence for nanoparticles of various size

The Journal of chemical physics, 2008-10, Vol.129 (16), p.164504-164504-7

2008

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Quasiperiodicity and the nanoscopic morphology of some polyurethanes

Journal of applied crystallography, 2015-04, Vol.48 (2), p.313-317

2015

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Surface tension of normal and branched alkanes

Molecular physics, 2007-12, Vol.105 (23-24), p.3155-3163

2007

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Molecular Simulation of Thermoplastic Polyurethanes under Large Tensile Deformation

Simulation of the structure and mechanics of crystalline 4,4′-diphenylmethane diisocyanate (MDI) with n-butanediol (BDO) as chain extender

Closed-Form Coexistence Equation for Phase Separation of Polymeric Mixtures in Dissipative Particle Dynamics

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Effects of Coarse-Graining on Molecular Simulation of Craze Formation in Polymer Glass

Atomistic Simulation of a Thermoplastic Polyurethane and Micromechanical Modeling

Atomistic Simulation of the Structure and Mechanics of a Semicrystalline Polyether

Molecular Simulation of Thermoplastic Polyurethanes under Large Compressive Deformation

Effect of Short Chain Branching on the Interlamellar Structure of Semicrystalline Polyethylene

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

Temperature-Dependent Thermal and Elastic Properties of the Interlamellar Phase of Semicrystalline Polyethylene by Molecular Simulation

Simulation of the Mechanical Strength of a Single Collagen Molecule

Morphology and Dynamics in Hydroxide-Conducting Polysulfones

Multiscale Materials Modeling in an Industrial Environment

Mesoscale hydrodynamics via stochastic rotation dynamics: Comparison with Lennard-Jones fluid

All-atomic and coarse-grained molecular dynamics investigation of deformation in semi-crystalline lamellar polyethylene

Accurate Force Fields for Atomistic Simulations of Oxides, Hydroxides, and Organic Hybrid Materials up to the Micrometer Scale

Corrigendum to “Simulation of the structure and mechanics of crystalline 4,4′- diphenylmethane diisocyanate (MDI) with n-butanediol (BDO) as chain extender” [Polymer 107 (2016) 233–239]

A molecular simulation study of cavity size distributions and diffusion in para and meta isomers

Temperature-Dependent Elasticity of a Semicrystalline Interphase Composed of Freely Rotating Chains

Monte Carlo Simulation of Interlamellar Isotactic Polypropylene

Application of Ewald summations to long-range dispersion forces

Liquid-vapor coexistence for nanoparticles of various size

Quasiperiodicity and the nanoscopic morphology of some polyurethanes

Surface tension of normal and branched alkanes

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