Gary S. Grest

Gary S. Grest

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Research Focus & Metrics

Academic Career Length

36Years (1991-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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10 March 2005 in Journal of Polymer Science Part B: Polymer Physics
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SSSathish K. Sukumaran
Sathish K. Sukumaran
Gary S. GrestGary S. Grest
Gary S. Grest
KKKurt Kremer
Kurt Kremer
RERalf Everaers
Ralf Everaers

19 May 2016 in ACS Macro Letters
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Journal Article
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SCShengfeng Cheng
Shengfeng Cheng
Gary S. GrestGary S. Grest
Gary S. Grest

9 June 2010 in Physical Review Letters
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Journal Article
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JLJ. Matthew D. Lane
J. Matthew D. Lane
Gary S. GrestGary S. Grest
Gary S. Grest
Spherical nanoparticles (NPs), uniformly coated with a simple polymer used to passivate NPs in solution, are shown to produce highly asymmetric coating arrangements. We show that a class of spherical particles is not symmetrically coated even when extremely uniform grafting arrangements and full coverages are employed. We demonstrate, using explicit-atom molecular dynamics simulations of model NPs, that geometric properties dictate when a coating's spherical symmetry will be unstable and show that the chain end group and the solvent play a secondary role in determining the properties of surface patterns. At the water-vapor interface the coatings are significantly distorted and oriented by the surface. These asymmetric and oriented coatings are expected to have a dramatic effect on the interactions between NPs and will likely influence the structures of aggregated NPs which self-assemble in the bulk and at surfaces.

1 March 2021 in Macromolecules
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Journal Article
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DPDaniele Parisi
Daniele Parisi
SCSalvatore Costanzo
Salvatore Costanzo
YJYouncheol Jeong
Youncheol Jeong
JAJunyoung Ahn
Junyoung Ahn
TCTaihyun Chang
Taihyun Chang
AGAlexander Grosberg
Alexander Grosberg

10 October 2016 in The Journal of Chemical Physics
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Gary S. GrestGary S. Grest
Gary S. Grest
The coupled dynamics of entangled polymers, which span broad time and length scales, govern their unique viscoelastic properties. To follow chain mobility by numerical simulations from the intermediate Rouse and reptation regimes to the late time diffusive regime, highly coarse grained models with purely repulsive interactions between monomers are widely used since they are computationally the most efficient. Here using large scale molecular dynamics simulations, the effect of including the attractive interaction between monomers on the dynamics of entangled polymer melts is explored for the first time over a wide temperature range. Attractive interactions have little effect on the local packing for all temperatures T and on the chain mobility for T higher than about twice the glass transition Tg. These results, across a broad range of molecular weight, show that to study the dynamics of entangled polymer melts, the interactions can be treated as pure repulsive, confirming a posteriori the validity of previous studies and opening the way to new large scale numerical simulations.

10 September 2014 in Langmuir
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Journal Article
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DBDan S. Bolintineanu
Dan S. Bolintineanu
JLJ. Matthew D. Lane
J. Matthew D. Lane
Gary S. GrestGary S. Grest
Gary S. Grest