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Materials Computation Center, University of Illinois

Materials Computation Center, University of Illinois Duane Johnson and Richard Martin, NSF DMR-03-25939 Multiscale Methods: Polymeric and Polyelectrolytic Materials Erik Luijten (MatSE), student Lei Guo.

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Materials Computation Center, University of Illinois

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  1. Materials Computation Center, University of Illinois Duane Johnson and Richard Martin, NSF DMR-03-25939Multiscale Methods: Polymeric and Polyelectrolytic Materials Erik Luijten (MatSE), student Lei Guo • ResearchObjectives: Simulation of soft-condensed matter systems and complex fluids, mostly driven by electrostatics (colloids, polyelectrolytes, hydrogels, …). • Approach: Monte Carlo and molecular dynamics techniques of particle-based, coarse-grained models. • Significant Results: • Triblock copolymer solutions1have been shown to form thermoreversible gels at remarkably low concentrations. Their dynamical properties exhibit a strong similarity to high-density glass-forming materials. • Broader Impact: • The model calculations lead to an improved understanding of hydrogel formation. Hydrogels have important biomedical applications, including drug-delivery devices. • Outreach:Luijten organized an MCC/CECAM sponsored workshop on “Novel Simulation Methods for Soft Condensed Matter Systems” (Lyon, June 2004). 1L. Guo and E. Luijten, J. Polym. Sci. B. (2004; invited)

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