Publications by authors named "Jan Andzelm"

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Modeling Brittle Fractures in Epoxy Nanocomposites Using Extended Finite Element and Cohesive Zone Surface Methods.
John J S Biswakarma, Dario A Cruz, Erich D Bain, Joseph M Dennis, Jan W Andzelm

Polymers (Basel)· October 2021

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Calculations of free energy of surface interactions in crystalline polyethylene.
In-Chul Yeh, Jan W Andzelm

J Chem Phys· July 2018

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High strength films from oriented, hydrogen-bonded "graphamid" 2D polymer molecular ensembles.
Emil Sandoz-Rosado, Todd D Beaudet, Jan W Andzelm, Eric D Wetzel

Sci Rep· February 2018

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Nanovoid formation and mechanics: a comparison of poly(dicyclopentadiene) and epoxy networks from molecular dynamics simulations.
Robert M Elder, Daniel B Knorr, Jan W Andzelm, Joseph L Lenhart, Timothy W Sirk

Soft Matter· May 2016

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AIREBO-M: a reactive model for hydrocarbons at extreme pressures.
Thomas C O'Connor, Jan Andzelm, Mark O Robbins

J Chem Phys· January 2015

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Nonlinear mechanics of thermoreversibly associating dendrimer glasses.
Arvind Srikanth, Robert S Hoy, Berend C Rinderspacher, Jan W Andzelm

Phys Rev E Stat Nonlin Soft Matter Phys· October 2013

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Cation-induced hydrogels of cellulose nanofibrils with tunable moduli.
Hong Dong, James F Snyder, Kristen S Williams, Jan W Andzelm

Biomacromolecules· September 2013

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Exploring the ability of a multiscale coarse-grained potential to describe the stress-strain response of glassy polystyrene.
Thomas W Rosch, John K Brennan, Sergei Izvekov, Jan W Andzelm

Phys Rev E Stat Nonlin Soft Matter Phys· April 2013

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Surface orientation of polystyrene based polymers: steric effects from pendant groups on the phenyl ring.
Joseph L Lenhart, Daniel A Fischer, Tanya L Chantawansri, Jan W Andzelm

Langmuir· November 2012

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Shock Hugoniot calculations of polymers using quantum mechanics and molecular dynamics.
Tanya L Chantawansri, Timothy W Sirk, Edward F C Byrd, Jan W Andzelm, Betsy M Rice

J Chem Phys· November 2012

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An enhanced entangled polymer model for dissipative particle dynamics.
Timothy W Sirk, Yelena R Slizoberg, John K Brennan, Martin Lisal, Jan W Andzelm

J Chem Phys· April 2012

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Determination of binding energy and solubility parameters for functionalized gold nanoparticles by molecular dynamics simulation.
Brian J Henz, Peter W Chung, Jan W Andzelm, Tanya L Chantawansri, Joseph L Lenhart

Langmuir· June 2011

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Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace.
B Christopher Rinderspacher, Jan Andzelm, Adam Rawlett, Joseph Dougherty, David N Beratan

J Chem Theory Comput· December 2009

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Performance of DFT Methods in the Calculation of Optical Spectra of TCF-Chromophores.
Jan Andzelm, Berend C Rinderspacher, Adam Rawlett, Joseph Dougherty, Roi Baer

J Chem Theory Comput· October 2009

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Optical Properties of Phthalocyanine and Naphthalocyanine Compounds.
Jan Andzelm, Adam M Rawlett, Joshua A Orlicki, James F Snyder, Kim K Baldridge

J Chem Theory Comput· May 2007

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