The importance of energy to society requires the development of energy responsive material architectures, a challenge that might be achieved by harnessing self-assembly processes to simultaneously bridge chemical structures at the molecular level and achieve collective effects of functionality over multi-length scales. Our goal is to understand, design, and manipulate the multiscale self-assembly of macromolecular and hybrid materials to tailor electronic transport and response. In this talk I will give a brief overview of how large-scale simulations of polymer structure and dynamics are performed and how those are integrated with experimental synthesis, multi-modal characterization, and chemometrics, often <i>in situ, </i>to develop improved understanding of the underlying processes for subsequent application to rational soft matter materials design/optimization. Specific examples will focus on the development of a green process (using water as the solvent) for surfactant-guided self-assembly of semiconducting polymers.

Functional soft-matter design through guided molecular ordering

251st National Meeting (2016)

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