COMPWednesday, 31 August 2005

8:25 AM-11:20 AM Washington DC Convention Center -- 150B, Oral
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Methods Development and Electronic Applications
Organizers:Richard B. Ross
Sanat Mohanty
Presiding:Steven O. Nielsen
8:25 AMIntroductory Remarks
8:30 AMComputer simulations of physical adsorption
Zhang Ying, Yan Zifeng Sr.
9:00 AMThermodynamically accurate particle-based mesodynamics
Alejandro Strachan
9:40 AMInteractions between nanoparticles in supercritical fluids: From repulsions to attractions
Sergei Egorov
10:10 AMIntermission
10:20 AMEncoding and transport of information in molecular and biomolecular systems
Jorge M. Seminario, Liuming Yan, Yuefei Ma
10:50 AMCoupling classical molecular dynamics simulations to continuum current and heat flow equations: Application to Joule heating, friction, and magnetic lift-off of nanoscale metal contacts
Clifford W. Padgett, Donald W. Brenner

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The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005