2009 Annual Meeting

Session: Recent Advances in Molecular Simulation Methods I

Chair

Michael R. Shirts, University of Virginia

Co-Chair

C. Heath Turner, University of Alabama

Presentations

12:30 PM

(113a) Coarse-Grained Lattice Monte Carlo Simulations of Continuous Systems

12:50 PM

(113b) Fast Lattice Monte Carlo Simulations of Soft Materials
Qiang Wang

01:10 PM

(113c) Direct Simulation Approach for Computing the Interfacial Free Energy for Nucleation From Solution
Nathan Duff, Baron Peters

01:30 PM

(113d) Simulations of Phase Transitions, Metastability, and Nucleation Via Spatial Updating and Tempering Techniques

01:50 PM

(113e) Multiscale Optimization of Coarse-Grained Models Via the Relative Entropy
Aviel Chaimovich

02:10 PM

(113g) A Benchmark Set for Validating and Testing Free Energy Estimation Methods in Molecular Design
Michael R. Shirts

02:30 PM

(113h) A New Method to Obtain Chemical Potential Differences in Periodic Molecular Simulations
Stan G. Moore, Dean R. Wheeler