2005 Annual Meeting

Session: Recent Advances in Molecular Simulation I

Chair

Fernando A. Escobedo, Cornell University

Co-Chair

Shekhar Garde, Rensselaer Polytechnic Institute

Presentations

12:30 PM

(372a) Multiscale Modeling and Density of States Monte Carlo of Different Glass Formers
Jayeeta Ghosh, Qi Sun, Florence Pon

12:50 PM

(372b) Order Parameter Density of States Monte Carlo Simulations
Juan J. De Pablo, Manan Chopra

01:10 PM

(372c) Towards More Realistic Nonequilibrium Molecular Dynamics Simulations
Jerome P. Delhommelle

01:30 PM

(372d) Rapid Shear Viscosity Calculation by Momentum Impulse Relaxation Molecular Dynamics (Mir-MD)
Manish S. Kelkar

01:50 PM

(372e) A Hamiltonian-Based Algorithm for Rigorous Molecular Dynamics Simulation in the Nve, Nvt, Npt, and Nph Ensembles
David J. Keffer, Chunggi Baig, Brian J. Edwards

02:10 PM

(372f) Probing Ion Energetics in the Gramicidin a Channel Using Non-Additive Force Fields
Sandeep A. Patel, Charles L. Brooks, III

02:30 PM

(372g) Importance of Including Long-Range Interactions in Simulations of Biologically Relevant 2d Surfaces
Jeffery B. Klauda, Xiongwu Wu, Richard W. Pastor, Bernard R. Brooks