This talk will focus on the development of quantum computing algorithms for molecular systems that display strongly correlated electronic states. The first part of the talk will cover quantum chemistry unitary coupled-cluster methods—and some of their variants—for application in quantum computing. In particular, we will discuss the exactness of various unitary ansätze, including an expansion built exclusively out of one- and two-body particle-hole excitations. In the second part of the talk, I will describe new low-depth quantum algorithms based on nonorthogonal Krylov spaces and their application to models of strongly correlated molecules.

Quantum algorithms for challenging molecular electronic states

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.