2005 Annual Meeting

Session: Recent Advances in Molecular Simulation II

Co-Chair

Tushar Jain, 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
Chunggi Baig, Bangwu Jiang, Brian J. Edwards, David J. Keffer, Hank D. Cochran

03:31 PM

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

03:47 PM

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

04:03 PM

(419d) First Principles Monte Carlo Simulations of Water and Hydrogen Fluoride
Matthew J. McGrath, I.-F. Will Kuo, Christopher J. Mundy

04:19 PM

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

04:35 PM

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

04:51 PM

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

05:07 PM

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

05:23 PM

(419i) Off-Lattice Dynamic Monte Carlo Simulations of Aggregation and Gelation
Lev Gelb, Rafael Salazar