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Mechanical and Structural Characterization of Semicrystalline Polyethylene under Tensile Deformation by Molecular Dynamics Simulations

Macromolecules, 2015-06, Vol.48 (12), p.4228-4239

2015

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Molecular Dynamics Simulation of the Effects of Layer Thickness and Chain Tilt on Tensile Deformation Mechanisms of Semicrystalline Polyethylene

Macromolecules, 2017-02, Vol.50 (4), p.1700-1712

2017

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Calculations of free energy of surface interactions in crystalline polyethylene

The Journal of chemical physics, 2018-07, Vol.149 (1), p.014701-014701

2018

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Ordering and Crystallization of Entangled Polyethylene Melts under Uniaxial Tension: A Molecular Dynamics Study

Macromolecules, 2018-12, Vol.51 (23), p.9635-9648

2018

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Molecular dynamics simulation study of thermomechanical properties and hydrogen bonding structures of two‐component polyurethanes

Journal of polymer science (2020), 2023-12, Vol.61 (23), p.3095-3104

2023

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Molecular Dynamics Simulations of Adsorption of Catechol and Related Phenolic Compounds to Alumina Surfaces

Journal of physical chemistry. C, 2015-04, Vol.119 (14), p.7721-7731

2015

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Kinetics studies and characterization of poly(furfuryl alcohol) for use as bio‐based furan novolacs

Journal of applied polymer science, 2018-09, Vol.135 (34), p.n/a

2018

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Vibrational Analysis of Semicrystalline Polyethylene Using Molecular Dynamics Simulation

Macromolecules, 2017-09, Vol.50 (17), p.6690-6701

2017

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Force Field Parameters for Ammonium Perchlorate Validated Using Surface Energies and Applied to Interactions with Polymer Binder

Journal of physical chemistry. C, 2023-09, Vol.127 (37), p.18598-18608

2023

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Nucleic Acid Transport through Carbon Nanotube Membranes

Proceedings of the National Academy of Sciences - PNAS, 2004-08, Vol.101 (33), p.12177-12182

2004

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Membrane insertion of fusion peptides from Ebola and Marburg viruses studied by replica‐exchange molecular dynamics simulations

Journal of computational chemistry, 2017-06, Vol.38 (16), p.1342-1352

2017

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System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions

The journal of physical chemistry. B, 2004-10, Vol.108 (40), p.15873-15879

2004

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Diffusion and Electrophoretic Mobility of Single-Stranded RNA from Molecular Dynamics Simulations

Biophysical journal, 2004-02, Vol.86 (2), p.681-689

2004

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Dielectric constant of water at high electric fields: Molecular dynamics study

The Journal of chemical physics, 1999-04, Vol.110 (16), p.7935-7942

1999

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Investigating the glass transition temperature at the atom-level in select model polyamides: A molecular dynamics study

Polymer (Guilford), 2015-12, Vol.81 (C), p.50-61

2015

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Molecular Dynamics Simulation Study of Adsorption of Bioinspired Oligomers on Alumina Surfaces

The journal of physical chemistry. B, 2019-08, Vol.123 (32), p.7024-7035

2019

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Ewald summation for systems with slab geometry

The Journal of chemical physics, 1999-08, Vol.111 (7), p.3155-3162

1999

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On the proper calculation of electrostatic interactions in solid-supported bilayer systems

The Journal of chemical physics, 2011-02, Vol.134 (5), p.055109-055109-9

2011

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Effects of Finite Lengths of Chains on the Structural and Mechanical Properties of Polyethylene Fibers

Macromolecules, 2020-01, Vol.53 (1), p.18-28

2020

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Computational study of thermal and mechanical properties of nylons and bio-based furan polyamides

Polymer (Guilford), 2014-01, Vol.55 (1), p.166-174

2014

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PSPP: a protein structure prediction pipeline for computing clusters

PloS one, 2009-07, Vol.4 (7), p.e6254-e6254

2009

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Structure and Dynamics of End-to-End Loop Formation of the Penta-Peptide Cys-Ala-Gly-Gln-Trp in Implicit Solvents

The journal of physical chemistry. B, 2009-09, Vol.113 (36), p.12382-12390

2009

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Free Energy Difference in Indolicidin Attraction to Eukaryotic and Prokaryotic Model Cell Membranes

The journal of physical chemistry. B, 2012-03, Vol.116 (10), p.3387-3396

2012

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Peptide Loop-Closure Kinetics from Microsecond Molecular Dynamics Simulations in Explicit Solvent

Journal of the American Chemical Society, 2002-06, Vol.124 (23), p.6563-6568

2002

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Shock-wave propagation and reflection in semicrystalline polyethylene: A molecular-level investigation

Physical review materials, 2017-09, Vol.1 (4), Article 043606

2017

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Mechanical and Structural Characterization of Semicrystalline Polyethylene under Tensile Deformation by Molecular Dynamics Simulations

Molecular Dynamics Simulation of the Effects of Layer Thickness and Chain Tilt on Tensile Deformation Mechanisms of Semicrystalline Polyethylene

Calculations of free energy of surface interactions in crystalline polyethylene

Ordering and Crystallization of Entangled Polyethylene Melts under Uniaxial Tension: A Molecular Dynamics Study

Molecular dynamics simulation study of thermomechanical properties and hydrogen bonding structures of two‐component polyurethanes

Molecular Dynamics Simulations of Adsorption of Catechol and Related Phenolic Compounds to Alumina Surfaces

Kinetics studies and characterization of poly(furfuryl alcohol) for use as bio‐based furan novolacs

Vibrational Analysis of Semicrystalline Polyethylene Using Molecular Dynamics Simulation

Force Field Parameters for Ammonium Perchlorate Validated Using Surface Energies and Applied to Interactions with Polymer Binder

Nucleic Acid Transport through Carbon Nanotube Membranes

Membrane insertion of fusion peptides from Ebola and Marburg viruses studied by replica‐exchange molecular dynamics simulations

System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions

Diffusion and Electrophoretic Mobility of Single-Stranded RNA from Molecular Dynamics Simulations

Dielectric constant of water at high electric fields: Molecular dynamics study

Investigating the glass transition temperature at the atom-level in select model polyamides: A molecular dynamics study

Molecular Dynamics Simulation Study of Adsorption of Bioinspired Oligomers on Alumina Surfaces

Ewald summation for systems with slab geometry

On the proper calculation of electrostatic interactions in solid-supported bilayer systems

Effects of Finite Lengths of Chains on the Structural and Mechanical Properties of Polyethylene Fibers

Computational study of thermal and mechanical properties of nylons and bio-based furan polyamides

PSPP: a protein structure prediction pipeline for computing clusters

Structure and Dynamics of End-to-End Loop Formation of the Penta-Peptide Cys-Ala-Gly-Gln-Trp in Implicit Solvents

Free Energy Difference in Indolicidin Attraction to Eukaryotic and Prokaryotic Model Cell Membranes

Peptide Loop-Closure Kinetics from Microsecond Molecular Dynamics Simulations in Explicit Solvent

Shock-wave propagation and reflection in semicrystalline polyethylene: A molecular-level investigation

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