Submissions from 2007
The Effects of Agent Synchronization in Asynchronous Search Algorithms, Ionel Muscalagiu, José M. Vidal, Vladimir Cretu, Popa Horia Emil, and Manuela Panoiu
CoPdx Oxygen Reduction Electrocatalysts for Polymer Electrolyte Membrane and Direct Methanol Fuel Cells, William E. Mustain, Keith Kepler, and Jai Prakash
Platinum–Glass Composite Electrode for Fuel Cell Applications, William E. Mustain, Hyea Kim, Shruti Prakash, Johanna Stark, Tyler Osborn, and Paul A. Kohl
A Model for the Electroreduction of Molecular Oxygen, William E. Mustain and Jai Prakash
Kinetics and Mechanism for the Oxygen Reduction Reaction on Polycrystalline Cobalt-Palladium Electrocatalysts in Acid Media, William E. Mustain and Jai Prakash
Preferentially Oriented Ag Nanocrystals with Extremely High Activity and Faradaic Efficiency for CO2 Electrochemical Reduction to CO, Xiong Peng, Stavros G. Karakalos, and William E. Mustain
Parameter Estimation and Model Discrimination for a Lithium-Ion Cell, Shriram Santhanagopalan, Qingzhi Guo, and Ralph E. White
Effect of Composition on Gelation Kinetics of Unfilled and Nanoapatite-Filled Poly(lactide-ethylene oxide-fumarate) Hydrogels, Alireza S. Sarvestani, Xuezhong He, and Esmaiel Jabbari
Effect of Osteonectin-Derived Peptide on the Viscoelasticity of Hydrogel/Apatite Nanocomposite Scaffolds, Alireza S. Sarvestani, Xuezhong He, and Esmaiel Jabbari
Viscoelastic Characterization and Modeling of Gelation Kinetics of Injectable In Situ Cross-Linkable Poly(lactide-co-ethylene oxide-co-fumarate) Hydrogels, Alireza S. Sarvestani, Xuezhong He, and Esmaiel Jabbari
Modeling the Viscoelastic Response of Suspension of Particles in Polymer Solution: The Effect of Polymer-Particle Interactions, Alireza S. Sarvestani and Esmaiel Jabbari
Gelation and Degradation Characteristics of In Situ Photo-Crosslinked Poly(l-lactide-co-ethylene oxide-co-fumarate) Hydrogels, Alireza S. Sarvestani, Weijie Xu, Xuezhong He, and Esmaiel Jabbari
Effect of Diphenyl Siloxane on the Catalytic Activity of Pt on Carbon, Vijay A. Sethuraman, John W. Weidner, and Lesia V V. Protsailo
EXAFS Characterization of Dendrimer‐Derived Pt/γ‐Al2O3, A. Siani, Oleg S. Alexeev, Christopher T. Williams, Harry J. Ploehn, and Michael D. Amiridis
EXAFS Characterization of Dendrimer-Derived Pt/γ-Al2O3, A. Siani, O. S. Alexeev, C. T. Williams, Harry J. Ploehn, and M. D. Amiridis
Analytical Expression for the Impedance Response of an Insertion Electrode Cell, Godfrey Sikha and Ralph E. White
Effect of Water on the Electrochemical Oxidation of Gas-Phase SO2 in a PEM Electrolyzer for H2 Production, John Staser, Ramaraja P. Ramasamy, Premkumar Sivasubramanian, and John W. Weidner
The Effect of Mesoporous Scale Defects on the Activity of Au/TS-1 for the Epoxidation of Propylene, Bradley Taylor, Jochen A. Lauterbach, and W Nicholas Delgass
Effect of a Low-Molecular-Weight Cross-Linkable Macromer on Electrospinning of Poly(lactide-co-glycolide) Fibers, Weijie Xu, Xuezhong He, Alireza S. Sarvestani, and Esmaiel Jabbari
A Controllable Nanometer-Sized Valve, Miao Yu, J. L. Falconer, T. J. Amundsen, M. Hong, and R. D. Noble
Supercritical Carbon Dioxide and Hydrogen Peroxide Cause Mild Changes in Spore Structures Associated with High Killing Rate of Bacilus Anthracis, Jian Zhang, Nishita Dalal, Michael A. Matthews, Lashanda N. Waller, Clint Saunders, Karen F. Fox, and Alivn Fox
Semi-Empirical Modeling of Charge and Discharge Profiles for a LiCoO2 Electrode, Qi Zhang, Qingzhi Guo, and Ralph E. White
Calendar Life Study of Li-Ion Pouch Cells, Qi Zhang and Ralph E. White
Comparison of Approximate Solution Methods for the Solid Phase Diffusion Equation in a Porous Electrode Model, Qi Zhang and Ralph E. White
Moving Boundary Model for the Discharge of a LiCoO2 Electrode, Qi Zhang and Ralph E. White
Submissions from 2006
Computation Revealed a Case Where Kinetic Selectivity Is Controlled by Dynamics: Isomerization of Benzylideneanilines, Salai Cheettu Ammal and H. Yamataka
Combinatorial Study of Ni-Ti-Pt Ternary Metal Gate Electrodes on HfO2 for the Advanced Gate Stack, K.-S. Chang, M. L. Green, J. Suehle, E. M. Vogel, H. Xiong, Jason R. Hattrick-Simpers, I. Takeuchi, O. Famodu, K. Ohmori, P. Ahmet, T. Chikyow, P. Majhi, B.-H. Lee, and M. Gardner
Combinatorial Search of Thermoelastic Shape-Memory Alloys with Extremely Small Hysteresis Width, Jun Cui, Yong S. Chu, Olugbenga O. Famodu, Yasubumi Furuya, Jason R. Hattrick-Simpers, Richard D. James, Alfred Ludwig, Sigurd Thienhaus, Manfred Wuttig, Zhiyong Zhang, and Ichiro Takeuchi
The Dynamics of the UMDL Service Market Society, Edmund H. Durfee, Tracy Mullen, Sunju Park, José M. Vidal, and Peter Weinstein
Understanding the Adsorption and Desorption Behavior of CO2 on a K-Promoted Hydrotalcite-like Compound (HTlc) through Nonequilibrium Dynamic Isotherms, Armin D. Ebner, S. P. Reynolds, and James A. Ritter
Damage Detection Accommodating Varying Environmental Conditions, Diego F. Giraldo, Shirley J. Dyke, and Juan M. Caicedo
Modeling Volume Changes in Porous Electrodes, Parthasarathy M. Gomadam and John W. Weidner
High-Throughput Study of the Performance of NOx Storage and Reduction Catalysts as a Function of Cycling Conditions and Catalyst Composition, Reed J. Hendershot, Rohit Vijay, Christopher M. Snively, and Jochen A. Lauterbach
High-Throughput Study of the Influence of H2O and CO2 on the Performance of Nitrogen Storage and Reduction (NSR) Catalysts, R. J. Hendershot, R. Vijay, C. M. Snively, and Jochen A. Lauterbach
Nitrous Oxide Decomposition over Fe-ZSM-5 in the Presence of Nitric Oxide: A Comprehensive DFT Study, Andreas Heyden, Niels Hansen, Alexis T. Bell, and Frerich J. Keil
Mechanical Endurance of Polymer Electrolyte Membrane and PEM Fuel Cell Durability, Xinyu Huang, Roham Solasi, Yue Zou, Matthew Feshler, Kenneth Reifsnider, David Condit, Sergei Burlatsky, and Thomas Madden
Effect of Surface Polarity on Wettability and Friction Coefficient of Silicone Rubber/Poly(acrylic acid) Hydrogel Composite, Saeid Kheirandish and Esmaiel Jabbari
Development of an Electroless Method to Deposit Corrosion-Resistant Silicate Layers on Metallic Substrates, Swaminatha P. Kumaraguru, Basker Veeraraghavan, and Branko N. Popov
Cycle Life Performance of Lithium-Ion Pouch Cells, Karthikeyan Kumaresan, Qingzhi Guo, Premanand Ramadass, and Ralph E. White
Fabrication and Characterization of Poly(Propylene Fumarate) Scaffolds with Controlled Pore Structures Using 3-Dimensional Printing and Injection Molding, Kee-Won Lee, Shanfeng Wang, Lichun Lu, Esmaiel Jabbari, Bradford L. Currier, and Michael J. Yaszemski
Monte Carlo Simulation of Degradation of Porous Poly(lactide) Scaffolds, I. Effect of Porosity on pH, Yousef Mohammadi and Esmaiel Jabbari
A Generalized Cycle Life Model of Rechargeable Li-Ion Batteries, Gang Ning, Ralph E. White, and Branko N Popov
Quantitative Analysis of Montmorillonite Platelet Size by Atomic Force Microscopy, Harry J. Ploehn and C. Liu
Polymer Electrolyte Membrane Resistance Model, Sinduja Renganathan, Qingzhi Guo, Vijay A. Sethuraman, John W. Weidner, and Ralph E. White
Enriching PSA Cycle for the Production of Nitrogen from Air, S. P. Reynolds, Armin D. Ebner, and James A. Ritter
Stripping PSA Cycles for CO2 Recovery from Flue Gas at High Temperature Using a Hydrotalcite-Like Adsorbent, S. P. Reynolds, Armin D. Ebner, and James A. Ritter
Review of Models for Predicting the Cycling Performance of Lithium Ion Batteries, Shriram Santhanagopalan, Qingzhi Guo, Premanand Ramadass, and Ralph E. White
Online Estimation of the State of Charge of a Lithium Ion Cell, Shriram Santhanagopalan and Ralph E. White
Modeling and Experimental Investigation of Rheological Properties of Injectable Poly(lactide ethylene oxide fumarate)/Hydroxyapatite Nanocomposites, Alireza S. Sarvestani and Esmaiel Jabbari
Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package, Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jörg Kussmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T B Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, Darragh P. O’Neill, Robert A. DiStasio Jr, Rohini C. Lochan, Tao Wang, Gregory J O Beran, Nicholas A. Besley, John M. Herbert, Ching Yeh Lin, Troy Van Voorhis, Siu Hung Chien, Alex Sodt, Ryan P. Steele, Vitaly A. Rassolov, Paul E. Maslen, Prakashan P. Korambath, Ross D. Adamson, Brian Austin, Jon Baker, Edward F C Byrd, Holger Dachsel, Robert J. Doerksen, Andreas Dreuw, Barry D. Dunietz, Anthony D. Dutoi, Thomas R. Furlani, Steven R. Gwaltney, Andreas Heyden, So Hirata, Chao-Ping Hsu, Gary Kedziora, Rustam Z. Khalliulin, Phil Klunzinger, Aaron M. Lee, Michael S. Lee, WanZhen Liang, Itay Lotan, Nikhil Nair, Baron Peters, Emil I. Proynov, Piotr A. Pieniazek, Young Min Rhee, Jim Ritchie, Edina Rosta, C David Sherrill, Andrew C. Simmonett, Joseph E Subotnik, H. Lee Woodcock III, Weimin Zhang, Alexis T. Bell, Arup K. Chakraborty, Daniel M. Chipman, Frerich J. Keil, Arieh Warshel, Warren J. Hehre, Henry F. Schaefer III, Jing Kong, Anna I. Krylov, Peter M W Gill, and Martin Head-Gordon
Swelling Characterization of Anionic Acrylic Acid Hydrogel in an External Electric Field, Javad Tavakoli, Esmaiel Jabbari, Mohammad Etrati Khosroshahi, and Mina Boroujerdi
Reaction Kinetic Analysis of the Gas-Phase Epoxidation of Propylene Over Au/TS-1, Bradley Taylor, Jochen A. Lauterbach, Gary E. Blau, and W Nicholas Delgass
Performance of Co-containing NOx Storage and Reduction Catalysts As A Function of Cycling Condition, Rohit Vijay, Christopher M. Snively, and Jochen A. Lauterbach
Polymerization of “Unpolymerizable” Molecules through Topological Control, Seth Washburn
Desorption and Photopolymerization Behavior of Mixed and Multilayered Styrene–Pyrrole Nanofilms, Seth Washburn, Ethan Townsend, Jochen A. Lauterbach, and Christopher M. Snively
Simulation of an Enriching Reflux PSA Process with Parallel Equalization for Concentrating a Trace Component in Air, M. Yoshida, James A. Ritter, A. Kodama, M. Goto, and T. Hirose
Reversible H2 Storage Using a SAPO-34 Zeolite Layer, Miao Yu, S. Li, J. L. Falconer, and R. D. Noble
Sterilizing Bacillus pumilus Spores Using Supercritical Carbon Dioxide, Jian Zhang, Sarah Burrows, Courtney Gleason, Michael A. Matthews, Michael J. Drews, Martine LaBerge, and Yuehuei H. An
On the Mechanisms of Deactivation of Bacillus atrophaeus Spores Using Supercritical Carbon Dioxide, Jian Zhang, Nishita Dalal, Courtney Gleason, Michael A. Matthews, Lashanda N. Waller, Karen F. Fox, Alvin Fox, Michael J. Drews, Martine LaBerge, and Yuehuei H. An
Sterilization Using High-Pressure Carbon Dioxide, Jian Zhang, Thomas A. Davis, Michael A. Matthews, Michael J. Drews, Martine LaBerge, and Yuehuei H. An
Submissions from 2005
Linear Free Energy Relationship and Kinetic Isotope Effects as Measures for the Transition-State Variation: A Case of the Neophyl System, Salai Cheettu Ammal and H. Yamataka
Synergistic Dimetallic Effects in Propargylic Substitution Reaction Catalyzed by Thiolate-Bridged Diruthenium Complex, Salai Cheettu Ammal, N. Yoshikai, Y. Inada, Y. Nishibayashi, and E. Nakamura
Towards Adaptive Workflow Enactment Using Multiagent Systems, Paul A. Buhler and José M. Vidal
Experimental Validation of Structural Health Monitoring for Flexible Bridge Structures, Juan M. Caicedo and Shirley J. Dyke
Lifting the Pt{100} Surface Reconstruction Through Oxygen Adsorption: A DFT Analysis, N Aaron Deskins, Jochen A. Lauterbach, and Kendall T. Thomson
Transient Analysis of a Porous Electrode, Sheba Devan, Venkat R. Subramanian, and Ralph E. White
Characterizing Discourse Among Undergraduate Researchers in an Inquiry-Based Community of Practice, Lori Donath, Roxanne Spray, Elisabeth M. Alford, Nadia Craig, and Michael A. Matthews
Cubic Spline Regression for the Open-Circuit Potential Curves of a Lithium-Ion Battery, Qingzhi Guo and Ralph E. White
AFM Characterization of Dendrimer-Stabilized Platinum Nanoparticles, Y. Gu, H. Xie, J. Gao, D. Liu, Christopher T. Williams, C. J. Murphy, and Harry J. Ploehn
High-Throughput Heterogeneous Catalytic Science, Reed J. Hendershot, Christopher M. Snively, and Jochen A. Lauterbach
Kinetic Modeling of Nitrous Oxide Decomposition over Fe-ZSM-5 Based on Parameters obtained from First-Principles Calculations, Andreas Heyden, Alexis T. Bell, and Frerich J. Keil
Efficient Methods for Finding Transition States in Chemical Reactions: Comparison of Modified Dimer Method and Partitioned Rational Function Optimization Method, Andreas Heyden, A. T. Bell, and F. J. Keil
Comprehensive DFT Study of Nitrous Oxide Decomposition over Fe-ZSM-5, Andreas Heyden, Baron Peters, Alexis T. Bell, and Frerich J. Keil
Synthesis, Material Properties, and Biocompatibility of a Novel Self-Cross-Linkable Poly(caprolactone fumarate) as an Injectable Tissue Engineering Scaffold, Esmaiel Jabbari, Shanfeng Wang, Lichun Lu, James A. Gruetzmacher, Syed Ameenuddin, Theresa E. Hefferan, Bradford L. Currier, Anthony J. Windebank, and Michael J. Yaszemski
Ring Cleavage of Aziridines by Difluoroamine: Mechanistic Insights from ab Initio and DFT Study, A. Kalaiselvan, Salai Cheettu Ammal, P. Venuvanalingam, and H. Yamataka
Effects of Dynamic Fluid Pressure on Chondrocytes Cultured in Biodegradable Poly(glycolic acid) Fibrous Scaffolds, Lichun Lu, Xun Zhu, Larry G. Pederson, Esmaiel Jabbari, Bradford Currier, Shawn O'Driscoll, and Michael Yaszemski
Vapor-Assisted Remodeling of Thin Gold Films, Y. Luo, J. Ruff, R. Ray, Y. Gu, Harry J. Ploehn, and W. A. Scrivens
Subsurface Oxygen Formation on Pt(100): Experiments and Modeling, Noah McMillan, Tanmay Lele, Christopher M. Snively, and Jochen A. Lauterbach
Tunable Multiferroic Properties in Nanocomposite PbTiO3-CoFe2O4 Epitaxial Thin Films, M. Murakami, K.-S. Chang, M. A. Aronova, C.-L. Lin, Ming H. Yu, Jason R. Hattrick-Simpers, M. Wuttig, I. Takeuchi, C. Gao, B. Hu, S. E. Lofland, L. A. Knauss, and L. A. Bendersky
Algorithms for Distributed Winner Determination in Combinatorial Auctions, Muralidhar V. Narumanchi and José M. Vidal
Thermal Decomposition of Generation-4 Polyamidoamine Dendrimer Films: Decomposition Catalyzed by Dendrimer-Encapsulated Pt Particles, O. Ozturk, T. J. Black, K. Perrine, K. Pizzolato, C. T. Williams, F. W. Parsons, J. S. Ratliff, J. Gao, C. J. Murphy, H. Xie, Harry J. Ploehn, and Donna A. Chen
Calendar Life Performance of Pouch Lithium-Ion Cells, Ramaraja P. Ramasamy, Ralph E. White, and Branko N Popov
A Mathematical Model for a Lithium-Ion Battery/Electrochemical Capacitor Hybrid System, Godfrey Sikha, Ralph E. White, and Branko N. Popov
Experimental Aspects of Asynchronous Rapid-Scan Fourier Transform Infrared Imaging, Christopher M. Snively and Jochen A. Lauterbach
Analysis of Capacity Fade in a Lithium Ion Battery, Andrew T. Stamps, Charles E. Holland, Ralph E. White, and Edward P. Gatzke
Identification of Marker Proteins for Bacillus anthractis Using MALDI-TOF MS and Ion Trap MS/MS After Direct Extraction or Electrophoretic Seperation, Michael J. Stump, Gavin Black, Alvin F. Fox, Charles E. Turick, and Michael A. Matthews
Matrix Metalloproteinase (MMP)-9 Facilitates Collagen Remodeling and Angiogenesis for Vascular Constructs, H. J. Sung, C. E. Johnson, Susan M. Lessner, R. Magid, D. N. Drury, and Z. S. Galis
Combinatorial Materials Synthesis, Ichiro Takeuchi, Jochen A. Lauterbach, and Michael J. Fasolka
Data Management and Visualization of X-Ray Diffraction Spectra from Thin Film Ternary Composition Spreads, I. Takeuchi, C. J. Long, O. O. Famodu, M. Murakami, Jason R. Hattrick-Simpers, G. W. Rubloff, M. Stukowski, and K. Rajan
Gas-phase Epoxidation of Propylene over Small Gold Ensembles on TS-1, B Taylor, Jochen A. Lauterbach, and W N. Delgass
Gas-Phase Epoxidation Of Propylene Over Small Gold Ensembles On TS-1, B Taylor, Jochen A. Lauterbach, and W N. Delgass
High-Throughput Characterization of Shape Memory Thin Films using Automated Temperature-Dependent Resistance Measurements, Sigurd Thienhaus, Christiane Zamponi, Holger Rumpf, Jason R. Hattrick-Simpers, Ichiro Takeuchi, and Alfred Ludwig
Integrating Undergraduate Research into Engineering: A Communications Approach to Holistic Education, Nancy S. Thompson, Elisabeth M. Alford, Changyong Liao, Robert L. Johnson, and Michael A. Matthews
Synthesis and Characterization of Sr3FeMoO6.88: An Oxygen-Deficient 2D Analogue of the Double Perobskite Sr2FeMoO6, Gabriel M. Veith, Martha Greenblatt, Mark Croft, K. V. Ramanujachary, Jason R. Hattrick-Simpers, Samuel E. Lofland, and Israel Nowik
A Protocol for a Distributed Recommender System, José M. Vidal
Using Recursive Agent Models Effectively, José M. Vidal and Edmund H. Durfee
Noble Metal Free NOx Storage Catalysts Using Cobalt Discovered Via High-Throughput Experimentation, Rohit Vijay, Reed J. Hendershot, Sindia M. Rivera-Jiménez, W. Benjamin Rogers, Benjamin J. Feist, Christopher M. Snively, and Jochen A. Lauterbach
Dendrimer-Mediated Synthesis of Platinum Nanoparticles: New Insights from Dialysis and Atomic Force Microscopy Measurements, H. Xie, Y. Gu, and Harry J. Ploehn
Thermal Isomerization at a C=N Double Bond: How Does the Mechanism Vary with the Substituent?, H. Yamataka, Salai Cheettu Ammal, T. Asana, and Y. Ohga
Adsorption of Liquid Mixtures on Silicalite-1 Zeolite: A Density-Bottle Method, Miao Yu, J. L. Falconer, and R. D. Noble