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Publications
Proceedings
2007 Annual Meeting
Computational Molecular Science and Engineering Forum
Multiple Time-Scale Modeling in Molecular Simulation
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
