I will describe several directions for the analysis and development of quantum algorithms for quantum chemistry that use contextuality as a guiding principle. I will describe work to characterize VQE experiments in terms of the presence or absence of strong measurement contextuality. I will describe how techniques for the optimization of measurements in VQE can be understood from the perspective of transformation contextuality. Finally I will describe new classical algorithms for problems that lack contextuality, and prospects for the broader use of these techniques as heuristics.

Contextuality and quantum algorithms for quantum chemistry

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.