2005 Annual Meeting

Session: Recent Advances in Molecular Simulation II

Co-Chair

Jain, T., Scripps Research Institute

Presentations

03:15 PM

(419a) Test of Viscoelastic Models for Predicting the Rheological Properties of Short-Chain Liquid Alkanes under Shear and Planar Elongational Flow Using Nonequilibrium Molecular Dynamics Simulations
Baig, C., Jiang, B., Edwards, B. J., Keffer, D. J., Cochran, H. D.

03:31 PM

(419b) Calculation of Solvation Properties Using a Combined Expanded Ensemble – Transition Matrix Monte Carlo Approach
Rosch, T. W.

03:47 PM

(419c) Investigations of Hydrophobic Mismatch in Lipid/Peptide Systems by Molecular Dynamics Simulations
Kandasamy, S. K., Allison, K. R.

04:03 PM

(419d) First Principles Monte Carlo Simulations of Water and Hydrogen Fluoride
McGrath, M. J., Kuo, I. W., Mundy, C. J.

04:19 PM

(419e) Density-of-States Simulation of Collapse of Confined Heteropolymers
Sliozberg, Y. R., Abrams, C. F.

04:35 PM

(419f) Quantum Mechanical Single Molecule Partition Function from Path Integral Monte Carlo Simulations
Predescu, C., Bell, A. T., Chakraborty, A.

04:51 PM

(419g) Feature Activated Molecular Dynamics Simulation of Void Cavitation in Crystalline Silicon under Dynamic Tension
Prasad, M., Kapur, S.

05:07 PM

(419h) A Domain Decomposition Based Parallel Monte Carlo Simulation Scheme for Simulations of Very Large Systems
Mukherjee, J., Teich-McGoldrick, S. L.

05:23 PM

(419i) Off-Lattice Dynamic Monte Carlo Simulations of Aggregation and Gelation
Gelb, L., Salazar, R.