Operating with the laws of quantum physics, quantum computers are well suited to simulate systems that are inherently quantum. Examples include calculating molecular and nuclear structure, simulating strongly-interacting electron systems, and modeling aspects of material function. While substantial theoretical advances have been made in mapping these problems to quantum algorithms, there remains a large gap between the resource requirements for solving such problems and the capabilities of currently available quantum hardware. Bridging this gap will require a co-design approach, where the expression of algorithms is developed in conjunction with the hardware itself to optimize execution. In this talk, I will describe a co-design framework for solving chemistry problems on a trapped ion quantum computer, and apply it to compute the ground-state energy of the water molecule. The robust operation of the trapped ion quantum computer yields energy estimates with quantum machine precision comparable to the room temperature, a typical target threshold necessary for reliably predicting the rates of chemical reaction dynamics.

Quantum chemistry on the cloud: Circuit co-design for trapped-ion quantum computers

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.