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Accepted Presentations

by admin — last modified May 04, 2009 05:14 PM

  1. Huajun Yuan, Cynthia J. Jameson, Sohail Murad, Gas Permeation Studies of Biological Membrane Using Course-grained Molecular Dynamics Simulations Method
  2. Abu M. Hassan, Dung T. Vu, Damien Bernard-Brunel, J. Richard Elliott, Dennis J. Miller and Carl T. Lira, "Vapor Pressures of Oxygenated Compounds: SPEAD Parameters and Applications"
  3. Alvaro Orjuela, S, Abraham J. Yanez, Peter K. Rossman, Dung T. Vu, Carl T. Lira, and Dennis J. Miller, Phase equilibria for mixtures containing diethyl succinate
  4. Eric M. Grzelak and Jeffrey R. Errington, How Does Nanoscale Roughness Influence Wetting Behavior?
  5. Robson P. S. Peguin, Ganesh Kamath, Jeffrey J. Potoff and Sandro R. P. da Rocha, All-Atom Force Field for the Prediction of Vapor−Liquid Equilibria and Interfacial Properties of HFA134a
  6. Nicholas B. Tito and John M. Stubbs, Modeling heterogeneous melting equilibria of surface-immobilized DNA using Monte Carlo molecular simulation
  7. Hye Min Kim, Andrew J. Schultz and David A. Kofke, Development of a Molecular Based Computational Approach
    to Fluid - Phase Equations of State
  8. Zeena K. Issa, Charles Manke, Bhanu Jena, and Jeffrey J. Potoff, Ca2+-Dimethylphosphate Complex Formation: Insights into Membrane Fusion
  9. Ravi Chopra, Thomas M. Truskett, and Jeffrey R. Errington, Relationship between the thermodynamics and dynamics of a molecular fluid
  10. Adam Burley, Isamu Kusaka, David Tomasko, Kurt Koelling, Toward a Fundamental Understanding of Bubble Nucleation in Polymer Foaming
  11. Denise C. Ford and Randall Q. Snurr, Molecular Dynamics Studies of n-Alkane and Benzene Self-Diffusion in the Metal-Organic Framework IRMOF-1
  12. Katie A. Maerzke, John L. Lewin, Nathan E. Schultz, Richard B. Ross, and J. Ilja Siepmann,TraPPE-UA force field for acrylates and prediction of Hildebrand solubility parameters
  13. Andrew S. Paluch, Saivenkataraman Jayaraman, Jindal K. Shah and Edward J. Maginn, An adaptable method to calculate the solubility limit of solids by molecular simulation
  14. Jake L. Rafferty, J. Ilja Siepmann, and Mark R. Schure, Understanding shape selectivity of PAHs in reversed-phase liquid chromatography via Monte Carlo simulations
  15. Katherine Schadel, Andrew Schultz, David Kofke
    , Improving the efficiency of virial-coefficient calculations: a hybrid approach employing integral-equation theories and Mayer-sampling Monte Carlo
  16. Michael S. Sellers, Andrew J. Schultz, Cemal Basaran, and David A. Kofke, Atomistic Modeling of Tin Surface and Grain Boundary Diffusion
  17. Tai Boon Tan, Andrew J. Schultz, and David A. Kofke , Consideration of the entropy in the free-energy calculation for the stable crystalline polymorphs
  18. Liqun Zhang, Daniel J. Lacks, James A. Van Orman, Transport properties investigation on generic species in silica melts using molecular simulations
  19. Marcos Perez-Blanco, Edward J. Maginn, Molecular dynamics simulations of CO2 at an ionic liquid interface: adsorption, ordering and interfacial crossing.
  20. Nikolai V. Priezjev, Shear rate threshold for the boundary slip in dense polymer films
  21. Susan Duncan and Ronald G. Larson , Folding of lipid monolayers containing lung surfactant proteins SP-B1-25 and SP-C studied via coarse-grained molecular dynamics simulations.
  22. Ehsan Moharreri and J. Richard Elliott, Implications of Compressed Liquid Density for Intermolecular Potential Models
  23. Amir Vahid, Neil H. Gray, and J. Richard Elliott, Asymptotic Trends in Athermal Mixture Entropy in the Long Chain Limit
  24. Krista S. Walton, Nanostructure Inorganic-Organic Hybrids:
    Engineering a New Class of Porous Materials
  25. Jennifer Wilcox, Minimizing Environmental Impacts of Coal-based Energy Generation







































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