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Recent Advances in Simulation of Dendritic Polymers

  • Tahir Çağin (a1), Paul J. Miklis (a1), Guofeng Wang (a1), Georgios Zamanakos (a1), Ryan Martin (a1), Hao Li (a1), Daniel T. Mainz (a1), Vaidehi Nagarajan (a1) and William A. Goddard (a1)...

Abstract

Dendrimers and hyperbranched polymers represent a revolution in methodology for directed synthesis of monodisperse polymers with enormous possibility of novel architectures. They demonstrate ability to attain micelle-like structures with distinct internal and external character. Furthermore polyfunctional character of dendrimers allows varied response to environment and promise as selective sensors, carrier for drugs, encapsulation of toxic chemicals and metals. One of the key problems are the characterization of the structures. Theory and simulation can be essential to provide and predict structure and properties. Here, we present some recent advances in theory, modeling and simulation of dendritic polymers.

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