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Publications
Proceedings
2005 Annual Meeting
Computational Molecular Science and Engineering Forum
Recent Advances in Molecular Simulation I
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
