4th International workshop on nonequilibrium thermodynamics and complex fluids

	IWNET 2006	4th International workshop on nonequilibrium thermodynamics and complex fluids 3-7 september 2006, Rhodes, Greece

Home Scope Location Speakers Program Abstracts Author index Organizing Committee Scientific Committee Venue & Accomodation Registration News Contact		ORAL PRESENTATION Session: 2 Multiscale modeling and molecular simulations (scheduled: Monday, 10:20 ) AdResS for hybrid atomistic/coarse-grained molecular dynamics simulations M. Praprotnik, L. Delle Site, K. Kremer Max Planck Institute for Polymer Research, Mainz, Germany A new Adaptive resolution scheme (AdResS) for efficient hybrid atomistic/coarse-grained particle-based molecular dynamics (MD) simulations is presented. The key feature of this approach is that it allows for a dynamical change of the number of molecular degrees of freedom during the course of a MD simulation by an on-the-fly switching between the atomistic and mesoscopic levels of detail. © IWNET 2006 [1] M. Praprotnik, L. Delle Site, and K. Kremer, J. Chem. Phys. 123, 224106, 2005. [2] M. Praprotnik, L. Delle Site, and K. Kremer, Phys. Rev. E. 73, 2006.

		© and Kleanthi for IWNET 2006