2007 Annual Meeting

Session: Multiple Time-Scale Modeling in Molecular Simulation

Chair

Cameron F. Abrams, Drexel University

Co-Chair

Marc-Olivier Coppens, Rensselaer Polytechnic Institute

Presentations

12:30 PM

(432a) A Conservative Algorithm For An On-The-Fly Change Of Resolution In Mixed Atomistic / Coarse-Grained Multiscale Simulations
Andreas Heyden, Donald G. Truhlar

12:55 PM

(432b) Coarse Molecular-Dynamics Analysis Of Structural Transitions In Condensed Matter
Miguel A. Amat, Dimitrios Maroudas

01:20 PM

(432c) Multiscale Simulation Of The Self-Assembly Of Nonionic Poly(Oxyethylene) Alkyl Ether Surfactants
Joshua D. Moore, Keith E. Gubbins

01:45 PM

(432d) Equilibration Of Cystine-Knotted Cyclic Peptides Using Hybrid Monte Carlo
Robin Curtis, Ramdas S. Pophale

02:10 PM

(432e) Coarse Molecular-Dynamics Analysis Of Polymorphic Transitions In Crystals Under Uniaxial Loading
Hadrian Djohari, Miguel A. Amat, Frederick Milstein, Dimitrios Maroudas

02:35 PM

(432f) Simulating Silica Aerogels With A Coarse-Grained Flexible Model And Langevin Dynamics
Lev D. Gelb