2007 Annual Meeting

Session: Recent Advances in Molecular Simulation Methods

Co-Chair

Fernando A. Escobedo, Cornell University

Presentations

08:30 AM

(377a) Replica Exchange for Reactive Monte Carlo Simulations
Heath Turner, John K. Brennan, Martin Lisal

08:45 AM

(377b) Reaction Coordinates And Transition Pathways Of Rare Events Via Forward Flux Sampling
Ernesto E. Borrero-Quintana, Fernando A. Escobedo

09:00 AM

(377c) A New Paradigm In Force Dependence In Single Molecule Experiments Unraveled By Molecular Simulations
Ravi Radhakrishnan, Ravindra Venkatramani

09:15 AM

(377d) Long-Range Lennard-Jones And Electrostatic Interactions In Interfaces: Application And Development Of The Isotropic Periodic Sum Method
Jeffery Klauda, Xiongwu Wu, Richard W. Pastor, Bernard R. Brooks

09:30 AM

(377e) Continuous Fractional Component Monte Carlo: The General Biased Slow-Growth Method For Phase Equilibrium Simulations
Wei Shi

09:45 AM

(377f) Understanding Polymorph Selection during Crystal Nucleation and Growth
Jerome P. Delhommelle, Caroline Desgranges

10:00 AM

(377g) Statistically Optimal Free Energy Estimates without Histograms
Michael R. Shirts, John D. Chodera

10:15 AM

(377h) An Evaluation of Learning-Augmented Monte Carlo
Eric Jankowski

10:30 AM

(377i) Free Energy Calculations In Field Theoretic Simulations
Erin Lennon, Kirill Katsov

10:45 AM

(377j) A Novel Algorithm For Creating Density Dependent Implicit Solvent Models
Erik C. Allen, Gregory C. Rutledge