Dresden 2011 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 33: Focused Session: Computational Polymer Physics - New Developments (jointly with DY)

CPP 33.1: Hauptvortrag

Mittwoch, 16. März 2011, 14:00–14:30, MOL 213

Multiscale Simulation of Soft Matter: Challenges — •Florian Müller-Plathe — Eduard-Zintl-Institut für Anorganische und Physikalische Chemie and Centre of Smart Interfaces, Technische Universität Darmstadt, Germany

Systematic coarse-graining approaches to the simulation of soft materials are now commonplace. Structural coarse-graining can be performed by a variety of methods such as Iterative Boltzmann Inversion and Force Matching. There remain, however, substantial challenges to the coarse-grained models, such as: (i) Dynamical properties. Current structure based coarse-graining methods predict too fast mobilities. (ii) Scale-bridging between particle models (e.g molecular dynamics) and continuum models (e.g. finite elements). (iii) The application of coarse-graining techniques to real-world problems. This lecture will highlight the challenges and survey approaches to overcome them.