Understanding the underlying structural origins of spectral behavior in conjugated polymers is an important element in an effort to enable design of polymers for applications such as solar photovoltaics. This presentation will discuss computational investigations of this relationship that utilize a variety of computationally rapid methods, including semi-empirical electronic structure, coarse-grain modeling, and machine learning

Probing the structure-spectra relationship in conjugated polymers

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.