Publications by authors named "Steven J Stuart"

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Simulated annealing with adaptive cooling rates.
Mariia Karabin, Steven J Stuart

J Chem Phys· September 2020

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Application of advanced sampling and analysis methods to predict the structure of adsorbed protein on a material surface.
Tigran M Abramyan, David L Hyde-Volpe, Steven J Stuart, Robert A Latour

Biointerphases· May 2017

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Simulation of carbon nanotube welding through Ar bombardment.
Mustafa U Kucukkal, Steven J Stuart

J Mol Model· April 2017

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Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important.
Tigran M Abramyan, James A Snyder, Aby A Thyparambil, Steven J Stuart, Robert A Latour

J Comput Chem· August 2016

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TIGER2 with solvent energy averaging (TIGER2A): An accelerated sampling method for large molecular systems with explicit representation of solvent.
Xianfeng Li, James A Snyder, Steven J Stuart, Robert A Latour

J Chem Phys· October 2015

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Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene.
Tigran M Abramyan, James A Snyder, Jeremy A Yancey, Aby A Thyparambil, Yang Wei, Steven J Stuart

Biointerphases· June 2015

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Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces.
Galen Collier, Nadeem A Vellore, Jeremy A Yancey, Steven J Stuart, Robert A Latour

Biointerphases· December 2012

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Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glass.
James A Snyder, Tigran Abramyan, Jeremy A Yancey, Aby A Thyparambil, Yang Wei, Steven J Stuart

Biointerphases· December 2012

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Polarizable molecular dynamics simulations of aqueous dipeptides.
Tugba G Kucukkal, Steven J Stuart

J Phys Chem B· August 2012

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Modified reactive empirical bond-order potential for heterogeneous bonding environments.
Jaewoong Hur, Steven J Stuart

J Chem Phys· August 2012

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Simulation of multiphase systems utilizing independent force fields to control intraphase and interphase behavior.
Pradip K Biswas, Nadeem A Vellore, Jeremy A Yancey, Tugba G Kucukkal, Galen Collier, Steven J Stuart

J Comput Chem· June 2012

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Bond-order potentials with split-charge equilibration: application to C-, H-, and O-containing systems.
M Todd Knippenberg, Paul T Mikulski, Kathleen E Ryan, Steven J Stuart, Guangtu Gao

J Chem Phys· April 2012

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Development of molecular simulation methods to accurately represent protein-surface interactions: The effect of pressure and its determination for a system with constrained atoms.
Jeremy A Yancey, Nadeem A Vellore, Galen Collier, Steven J Stuart, Robert A Latour

Biointerphases· September 2010

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Assessment of the transferability of a protein force field for the simulation of peptide-surface interactions.
Nadeem A Vellore, Jeremy A Yancey, Galen Collier, Robert A Latour, Steven J Stuart

Langmuir· May 2010

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Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics.
Feng Wang, Steven J Stuart, Robert A Latour

Biointerphases· April 2010

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Development of molecular simulation methods to accurately represent protein-surface interactions: Method assessment for the calculation of electrostatic effects.
Galen Collier, Nadeem A Vellore, Robert A Latour, Steven J Stuart

Biointerphases· December 2009

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TIGER2: an improved algorithm for temperature intervals with global exchange of replicas.
Xianfeng Li, Robert A Latour, Steven J Stuart

J Chem Phys· May 2009

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Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles.
M Todd Knippenberg, Steven J Stuart, Hansong Cheng

J Mol Model· May 2008

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Empirical bond-order potential for hydrocarbons: adaptive treatment of van der Waals interactions.
Aibing Liu, Steven J Stuart

J Comput Chem· March 2008

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An improved replica-exchange sampling method: temperature intervals with global energy reassignment.
Xianfeng Li, Christopher P O'Brien, Galen Collier, Nadeem A Vellore, Feng Wang, Steven J Stuart

J Chem Phys· October 2007

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Physical adsorption strength in open systems.
M Todd Knippenberg, Steven J Stuart, Alan C Cooper, G P Pez, Hansong Cheng

J Phys Chem B· November 2006

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In situ observation of the growth mechanisms of carbon nanotubes under diverse reaction conditions.
Renu Sharma, Peter Rez, Michael M J Treacy, Steven J Stuart

J Electron Microsc (Tokyo)· June 2005

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Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubes.
Hansong Cheng, Alan C Cooper, Guido P Pez, Milen K Kostov, Pamela Piotrowski, Steven J Stuart

J Phys Chem B· March 2005

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Molecular simulation to characterize the adsorption behavior of a fibrinogen gamma-chain fragment.
Madhuri Agashe, Vivek Raut, Steven J Stuart, Robert A Latour

Langmuir· February 2005

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Molecular dynamics simulations of peptide-surface interactions.
Vivek P Raut, Madhuri A Agashe, Steven J Stuart, Robert A Latour

Langmuir· February 2005

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