Abstract
Format This is a copy of the slides presented at the meeting but not formally written up for the volume. Abstract A multiscale theoretical and computational methodology will be presented for describing liquid state, biomolecular, and nanoparticle systems across multiple length- and time-scales. The approach provides an interface between atomistic molecular simulations, mesoscale dynamics, and continuum mechanics. The underlying methodology couples atomistic-level simulations with mesoscale simulations which, in turn, can be bridged to continuum-level modeling where necessary. A new and systematic multiscale coarse-graining strategy for linking the atomistic-scale interactions to the mesoscale will be the primary focus of the presentation. Applications of the overall methodology will be given.
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