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Research Objectives: 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 solutions1 have 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).

Materials Computation Center, University of IllinoisDuane Johnson and Richard Martin, NSF DMR-03-25939

Multiscale Methods: Polymeric and Polyelectrolytic MaterialsErik Luijten (MatSE), student Lei Guo

1L. Guo and E. Luijten, J. Polym. Sci. B. (2004; invited)