David J. Keffer
Sessions chaired or co-chaired
Numerical Methods for Molecular and Mesoscopic Systems2009 Annual Meeting
Authored
(250f) A Molecular Dynamics Study of the Stress-Optical Behavior of a Linear Short-Chain Polyethylene Melt under Shear2006 Annual Meeting
(692d) Estimation and Analysis of the Rheological Properties of Perfluoropolyethers2006 Annual Meeting
(202e) Thermodynamics of Non-Isothermal Polymer Flows: Experiment, Theory and Simulation2006 Annual Meeting
(553g) A Molecular Dynamics Study of Nafion Polyelectrolyte Membrane and the Aqueous Phase Structure for Proton Transport2006 Annual Meeting
(321f) Using Voronoi Tessellations to Measure Coexisting Densities for Molecular Dynamics Simulations2006 Annual Meeting
(360f) A Generalized Hamiltonian-Based Algorithm for Rigorous Nonequilibrium Molecular Dynamics Simulation in the Nvt Ensemble2006 Annual Meeting
(256d) Surfactant and Electric Field Strength Effects on Surface Tensions at Liquid/Liquid/Solid Interfaces2006 Annual Meeting
(321g) Computing Thermophysical Properties of Aromatic Compounds: Comparison of Theory and Experiment2006 Annual Meeting
(335k) V.L.E. Of Ethanol And Ethanediol From Molecular Dynamics Simulations And Voronoi Tessellations2007 Annual Meeting
(589b) Molecular-Level Modeling of the Structure and Wetting of Electrode/electrolyte Interfaces2007 Annual Meeting
(334o) Reactive Molecular Dynamics Study For The Thermal Decomposition Of CF3OCF32007 Annual Meeting
(543b) Rheological And Entanglement Characteristics Of Polyethylene Liquids And Visualization Of Conformational Changes In Shear And Elongational Flows2007 Annual Meeting
(334s) Thermophysical Properties Of Aromatic Compounds: Coupling Quantum Mechanics And Statistical Thermodynamics2007 Annual Meeting
(646a) Quantum Mechanics Study Of Decomposition Of CF3OCF3 And (CF3CF2)2O Catalyzed By AlF32007 Annual Meeting
(592b) Understanding the Relationship between Molecular Architecture and Thermophysical and Rheological Properties of Perfluoropolyethers
2007 Annual Meeting
(334d) Correlation-Based Coarse Graining Approach To Multiscale Materials Modeling2007 Annual Meeting
(431c) Reactive Molecular Dynamics Applied to Proton Transport in Fuel Cells2007 Annual Meeting
(185r) Self-Consistent Thermostatting of Molecular Dynamics Simulation In the Presence of Inhomogeneous, Non-Equilibrium Fields through Multiscale Modeling2008 Annual Meeting
(490b) Predicting the Capability of Metal Organic Frameworks to Selectively Pre-Concentrate Energetic Molecules2008 Annual Meeting
(413e) The Effect of Polymer Structure and Morphology on Proton Hydration and Diffusion in Perfluorosulfonic Acid Membranes Via Molecular Dynamics Simulations2008 Annual Meeting
(385a) A Coarse-Grained Reactive Molecular Dynamics Algorithm for Proton Transport In Hydrogen Fuel Cells2008 Annual Meeting
(185p) Molecular Dynamics Simulation of Bhet: 1,4-Benzenedicarboxylic Acid 1,4-Bis(2-hydroxyethyl)Ester2008 Annual Meeting
(95a) Evaluating Metal Organic Frameworks as Smart Nanoporous Preconcentrators for Explosive Sensing
2009 Annual Meeting
(517c) Atomistic & Multiscale Modeling of PET2009 Annual Meeting
(605b) The Effect of Polymer Equivalent Weight (EW) On Morphology in Hydrated Perfluorosulfonic Acid Membranes Via Molecular Dynamics Simulations2009 Annual Meeting
(178h) The Role of Pore Size and Polar Functional Groups in Hydrogen Adsorption in Metal Organic Frameworks2009 Annual Meeting
(167e) Study of Proton Transport Using Reactive Molecular Dynamics2009 Annual Meeting
(358c) Energetics of Proton Transfer of Hydrated Perfluorosulfonic Acids2009 Annual Meeting
(318e) Multi-Scale Models for Poly (1, 3-cyclohexadiene) (PCHD) Polymer2011 Annual Meeting
(190s) A Coarse-Grained Model for Polyethylene Glycol (PEG) Polymer2011 Annual Meeting
(190t) Effective Potential Between Nanoparticles In Suspension2011 Annual Meeting
(452c) Toward a Predictive Understanding of Water and Charge Transport In Proton Exchange Membranes2011 Annual Meeting
(241c) A Reactive Molecular Dynamics Study of Proton Transport In Polymer Electrolyte Membranes2011 Annual Meeting
(379e) Nano-Particle Adhesion In PEM Fuel Cell Electrodes2011 Annual Meeting
(420k) Electron Beam Induced Radiation Damage In Nafion and the Lifetime of Fuel Cells2011 Annual Meeting
(456c) Molecular Simulation of Hydrogen Adsorption In Porous Material Made up with Silsesquioxane Units and Metal Catalytic Sites2011 Annual Meeting
(232b) Evaluation of Energetic and Entropic Contributions to the Free Energy of Oriented Polymer Melts2005 Annual Meeting
(187g) Crystalline Precursor Formations under Steady-State Isothermal Planar Elongational Stretching of N-Eicosane: a Comparison between Simulation and Experiment2005 Annual Meeting
(187b) Rheological and Structural Studies of Linear Polyethylene Melts under Planar Elongational Flow Using Nonequilibrium Molecular Dynamics Simulations2005 Annual Meeting
(475g) Rheological and Structural Studies of Liquid Decane, Hexadecane, and Tetracosane under Planar Elongational Flow Using Nonequilibrium Molecular Dynamics Simulations2005 Annual Meeting
(583g) The Performance of Multiple-Mode Models in Single and Double Step-Strain Flows2005 Annual Meeting
(455e) Studying Thermophysical Properties with Molecular Dynamics2005 Annual Meeting
(372e) A Hamiltonian-Based Algorithm for Rigorous Molecular Dynamics Simulation in the Nve, Nvt, Npt, and Nph Ensembles2005 Annual Meeting
(545b) Coarse-Grained Molecular Dynamics Simulation of PET2010 Annual Meeting
(111a) Use of the Ornstein-Zernike Percus-Yevick Equation to Extract Interaction Potentials From Pair Correlation Functions2010 Annual Meeting
(91d) SEM and TEM Studies of Electrode Structure in PEM Fuel Cells2010 Annual Meeting
(702d) Molecular Dynamic Simulations of the Effect On the Hydration of Nafion at the Presence of Nanoparticle2010 Annual Meeting
(184d) Relationship Between Metal Organic Frameworks Structure and Hydrogen Adsorption and Diffusion
2010 Annual Meeting
Associated proceedings
2006 Annual Meeting
2007 Annual Meeting
2008 Annual Meeting
2009 Annual Meeting
2011 Annual Meeting
2005 Annual Meeting
2010 Annual Meeting