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List of works by David J Keffer

A coarse-grained model for polyethylene glycol polymer ⬇️

scientific article published on December 7, 2011

A compendium of potential energy maps of zeolites and molecular sieves.

scientific article published in April 1996

A molecular dynamics study of a nafion polyelectrolyte membrane and the aqueous phase structure for proton transport.

scientific article published on 9 February 2007

A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flow.

scientific article published in March 2005

A validation of the p-SLLOD equations of motion for homogeneous steady-state flows.

scientific article published in May 2006

An examination of the validity of nonequilibrium molecular-dynamics simulation algorithms for arbitrary steady-state flows.

scientific article published in September 2005

Applications of a general random-walk theory for confined diffusion.

scientific article

Behavior of oil droplets on an electrified solid metal surface immersed in ionic surfactant solutions.

scientific article

Effect of charge distribution on RDX adsorption in IRMOF-10.

scientific article published in April 2010

Effective potentials between nanoparticles in suspension.

scientific article published in April 2011

Effects of ultramicroelectrode dimensions on the electropolymerization of polypyrrole.

scientific article published on 29 June 2009

Electron beam induced radiation damage in the catalyst layer of a proton exchange membrane fuel cell

scientific article

Evidence of single-file diffusion in zeolites.

scientific article published in October 1996

Exploration of Entropy Pair Functional Theory

scientific article published on 26 April 2022

Kinetics of methane hydrate decomposition studied via in situ low temperature X-ray powder diffraction

scientific article published on 16 April 2013

Li-Ion Localization and Energetics as a Function of Anode Structure

scientific article published on 20 January 2017

Measuring coexisting densities from a two-phase molecular dynamics simulation by voronoi tessellations.

scientific article published on 9 March 2007

Molecular dynamics simulation of poly(ethylene terephthalate) oligomers.

scientific article published in January 2010

On the relationship between Fickian diffusivities at the continuum and molecular levels.

scientific article published in March 2005

Rheological and structural studies of linear polyethylene melts under planar elongational flow using nonequilibrium molecular dynamics simulations.

scientific article published in February 2006

Rheological and structural studies of liquid decane, hexadecane, and tetracosane under planar elongational flow using nonequilibrium molecular-dynamics simulations.

scientific article published in May 2005

Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks

article

Structure formation under steady-state isothermal planar elongational flow of n-eicosane: a comparison between simulation and experiment.

scientific article published on 24 January 2006

Surfactant and electric field strength effects on surface tension at liquid/liquid/solid interfaces.

scientific article published in June 2006

Toward a predictive understanding of water and charge transport in proton exchange membranes

scientific article published on 08 March 2011

Use of the Ornstein-Zernike Percus-Yevick equation to extract interaction potentials from pair correlation functions.

scientific article published on 28 June 2010

Visualization of conformational changes of linear short-chain polyethylenes under shear and elongational flows.

scientific article published on 8 September 2007

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