Peter T. Cummings

(627b) Analyzing Individual Cancer Cell Motility with Chemotaxis Perspective

2006 Annual Meeting

Alka A. Potdar

(571c) Molecular Dynamics and Density Functional Theory Studies on the Formation of Ultrathin Gold Nanowires in Vacuum and in Organic Solvents

2006 Annual Meeting

2006 Annual Meeting

(663f) Calibration of Chemical Bonding in Organo/Metallic System: Interaction between Benzenedithiolate and Gold

2006 Annual Meeting

(188e) Molecular Dynamics Simulations of Hydration Force in Aqueous Solutions Confined between Mica Surfaces

(470c) Molecular Dynamics Simulation of a Nanoscale Device for Fast Sequencing of DNA

2006 Annual Meeting

2006 Annual Meeting

(379d) Computational Nanoscience

(256e) Polarizable Contributions to the Surface Tension of Liquid Water

2006 Annual Meeting

2006 Annual Meeting

(291b) Microscopic Properties of the Electric Double Layer at Metal Oxide Surfaces and the Effect of Hydrogen Bonding

(319g) A Coarse-Grained Force Field For Simulating Tethered Nanoparticle Self-Assembly In Solution

2006 Annual Meeting

2007 Annual Meeting

(507f) Hydration Structure And Hydration Force Between Mica Surfaces In Water

(469h) Development Of A Gaussian Charge Polarizable Model For Simple Ions

2007 Annual Meeting

(600d) Molecular Simulations Of The Structural Evolution Of Benzenedithiolate Adsorbed On A Gold Nanowire Undergoing Stretch

2007 Annual Meeting

2007 Annual Meeting

(97c) A Coarse-Grained Molecular Dynamics Simulation Of Lamellipodium Protrusion

2007 Annual Meeting

(623b) Bimodal Analysis of Individual Mammary Epithelial Cells Migrating in Two Dimensions

2007 Annual Meeting

(387e) Dynamics Of Water And Adsorbed Ions At Oxide Surfaces: Simulation And Experimental Study

Eugene Mamontov

(597d) Molecular Dynamics Simulation of Inorganic Ions in Peo Aqueous Solution Using on Quantum-Chemistry-Based Force Field

2007 Annual Meeting

Zhi Tao

(365a) Forum Award Seminar: Computational and Theoretical Nanoscience – Emerging Tools for Nanoscience and Nanotechnology

2007 Annual Meeting

Molecular Simulation and Modeling of Water and Aqueous Solutions in Bulk and at Interfaces: From Ambient to Supercritical Conditions

2007 Annual Meeting

(296c) Water and Electrolyte Solutions and John O'connell

2007 Annual Meeting

(363e) Molecular Dynamics Simulations on the Elongation Properties of Gold Nanowires in Benzendithiol

2008 Annual Meeting

2008 Annual Meeting

(609e) Hydration Force Between Mica Surfaces in An Aqueous Droplet

(709b) Simulation-Based Engineering and Science: Materials Applications and Multiscale Modeling and Simulation for Materials, Energy and Life Sciences

2008 Annual Meeting

(765b) Cell Migration Paths of Epithelial Cells Resemble Levy Modulated Correlated Random Walk Pattern

2008 Annual Meeting

2008 Annual Meeting

(55d) When Nano-Confined Between Mica Sheets, Does Dodecane Undergo a Phase Transition?

(533g) The Importance of Polarizability In the Modeling of Solubility: Quantifying the Effect of Solute Polarizability on the Solubility of Small Non-Polar Solutes In Popular Models of Water

2008 Annual Meeting

(383b) Molecular Simulation Methods for Transport Properties and Processes

2008 Annual Meeting

(420b) Computational Nanotribology - Understanding Lubrication at the Nanoscale Using Molecular Simulation

2008 Annual Meeting

(737c) A Hybrid off-Lattice Cell-Based Model of Tumor Growth

2008 Annual Meeting

Junhwan Jeon

(288d) Dynamics of Water and Electrolyte Solutions In Porous Silicates: Simulations and Experiments

2008 Annual Meeting

2008 Annual Meeting

(22a) Success and Prospects in Thermodynamics

(407c) International and National Assessments of Research and Development in Simulation-Based Engineering and Science

2008 Annual Meeting

(330e) Novel High Capacity Hydrogen Storage Materials Based On Tetrahydrogenmethane

2009 Annual Meeting

2009 Annual Meeting

(375d) Tumor Growth and Its Morphological Change Dependent On Cell-Cell and Cell-Extracellular Matrix Interactions: An off-Lattice Hybrid Discrete-Continuum (OLHDC) Model

Junhwan Jeon

Vito Quaranta

(480f) Modeling the Effect of Hydrogen Bonding for Understanding the Dissolution of α-Quartz Surfaces in Water

2009 Annual Meeting

Adam Arnold Skelton

(435f) Which Factors Control the Onset of the Fluid-Solid Transition of a Nanoconfined Fluid?

2009 Annual Meeting

(692a) The Importance of Polarizability in the Modeling of Solubility: Quantifying the Effect of Charged Co-Solutes On the Solubility of Small Non-Polar Solutes

2009 Annual Meeting

(446c) Mammary Epithelial Cells Exhibit A Bimodal Correlated Random Walk Pattern

2009 Annual Meeting

2009 Annual Meeting

(649e) A General Scaling Law Governing Chemotactic and Non-Directed Eukaryotic Cell Motility

2009 Annual Meeting

(527e) Structural Characterization of the Rate-Dependent Energy Release Mechanism of Gold Nanowires Under Elongation

Qing Pu

(591a) Transport Properties of Aqueous Solutions in Porous Silica

2009 Annual Meeting

2009 Annual Meeting

(68a) Area 1A Keynote Address: Direct Simulation-Based Evidence for Fluid-Solid Transition in Nanoconfined Non-Polar Fluids

(62ab) A Computational Investigation of Bone Biology

2009 Annual Meeting

2009 Annual Meeting

(446h) The Effect of Molecular Adsorption On the Structural and Electrical Behavior of Elongating Gold Nanowires

Brandon G. Cook

Kalman Varga

(776f) Molecular Modeling of Ionic Liquids Combined with NMR and SAXS Studies

2011 Annual Meeting

Jianchang Guo

(460a) Electric Double Layers At the Interface of Ionic Liquids/Onion-Like Carbon: Capacitance Enhancement Originating From Spherical Curvature

Robert Shaw

2011 Annual Meeting

(212f) The Formation of Polytetrahedral Structures In Elongated Gold Nanowires

De-en Jiang

Guang Feng

2011 Annual Meeting

(757e) Fourier Space Based Approach to Classical Density Functional Theory

2011 Annual Meeting

(698c) Structure and Dynamics of a Nanoconfined Ionic Liquid

2011 Annual Meeting

Michael Rouha

(660g) Determining Absolute Free Energy of Heterogeneous Molecular Solids

2011 Annual Meeting

Li Wan

(119d) Wang-Landau Simulations for Self-Assembling Systems

2011 Annual Meeting

Katie A. Maerzke

(72c) Simulation of Nano-Confined Fluids and Colloids Using GPUs

2011 Annual Meeting

(595g) A Lattice-Based Computational Model of Microscopic Bone Resorption In Cortical Bone Multicellular Units

2011 Annual Meeting

2011 Annual Meeting

(576g) Interaction between DNA Molecules and Fullerenes: Molecular Dynamics Study

Xiongce Zhao

Alberto Striolo

(223b) Water Adsorption Isotherms in Molecularly Reconstructed Models of Activated and Un-Activated Carbons Obtained from Saccharose

2005 Annual Meeting

2005 Annual Meeting

(269e) Polyhedral Oligomeric Sislesquioxanes in Solution: Insights from All-Atom Molecular Dynamics Simulations

Alberto Striolo

(535a) Molecular Dynamics Simulation of a Nanoscale Device for Fast Sequencing of DNA

2005 Annual Meeting

2005 Annual Meeting

(493i) Self Assembly of 1,4-Benzenedithiolate-Tetrahydrofuran Mixtures on Gold Surface: a Monte Carlo Simulation Study

Xiongce Zhao

(579c) Determining the Octanol-Water Partition Coefficient for Poss Systems

2005 Annual Meeting

2005 Annual Meeting

(468c) Simulation of Friction in Nanoconfined Fluids for an Arbitrarily Low Shear Rate

Jerome P. Delhommelle

(309f) Development of Coarse-Grained Force Fields for Polymer-Tethered Silsesquioxanes

2005 Annual Meeting

2005 Annual Meeting

(160b) Solvation Study Using Gaussian Charges Particles and GCPM Water Model

(136e) Structure and Energetics of Gold Breaking Junctions

2005 Annual Meeting

Qing Pu

(223g) Comparison of Adsorption of Spherical and Non-Spherical Nitrogen in Parallel Slit Pores Using Density Functional Theory: Density Profiles and Pore Size Distributions

2005 Annual Meeting

Bryan J. Schindler

(269c) Viscosity of Hydration Water under Subnanometer Confinement between Mica Surfaces

2005 Annual Meeting

(315c) Molecular Dynamics Simulation of Titania Nanoparticles

2005 Annual Meeting

Vishal N. Koparde

(160g) Development of Classical Force Field for the Chemical Bonding between Benzenedithiolate and Gold

2005 Annual Meeting

2005 Annual Meeting

(421a) Microscopic Structure of the Electric Double Layer at the Cassiterite Surfaces

(236c) Improved Polarizable Potential Model and Simulation Study of Aqueous Systems of Polyethylene Oxide and Inorganic Salts

2005 Annual Meeting

Zhi Tao

(189b) Recognition of the 2005 Cache Award for Innovations in Computer-Based Chemical Engineering Education

2005 Annual Meeting

Computational Nanotechnology: Atomistic Simulations

2005 Annual Meeting

(659e) Formation of Polyhedral Structures in Elongated Gold Nanowires

2005 Annual Meeting

Christopher R. Iacovella

William R. French

(225a) Introduction and Session Objectives

2010 Annual Meeting

(225f) Open Discussion On High Performance Computing in Chemical Engineering

Sharon C. Glotzer

Phillip R. Westmoreland

2010 Annual Meeting

Sharon C. Glotzer

(715a) Phase Transition of Water in Graphite and Mica Pores

Phillip R. Westmoreland

2010 Annual Meeting

2010 Annual Meeting

(388c) A Student Competition to Develop a Chemical Engineering App for the Iphone

(25e) Discovery of a New Mixed Methane-Hydrogen Hydrate Phase with Very High Hydrogen Storage Capacity

2010 Annual Meeting

2010 Annual Meeting

(686c) Modeling the Quartz/Water Interface: Testing Existing Force Fields and Development of a New ClayFF Based Force Field for Describing Negatively Charged Surfaces

2010 Annual Meeting

(651c) Computer Simulation of Bone Resorption Using a Hybrid Cellular Automaton Model

2010 Annual Meeting

(227d) Molecular Simulation of Ionic Liquids Confined Between Graphene Sheets: Comparison with Quasi-Elastic Neutron Scattering Experiments

2010 Annual Meeting

(587b) A Computational Study of the Formation of Realistic Nanoelectronic Junctions

William R. French

Christopher R. Iacovella

(290e) Determining the Free Energy of Nano-Confined Fluids

2010 Annual Meeting

2010 Annual Meeting

(225b) Inventing a New America through Discovery and Innovation in Science, Engineering and Medicine