Quantum Chemistry with a Quantum Computer

Explore quantum chemistry simulations using quantum computers in this insightful conference talk presented by Susanne Yelin from Harvard University at the QuDits for Quantum Technology workshop. Delve into a novel simulation framework for strongly correlated quantum systems represented by model spin Hamiltonians. Discover how the approach leverages effective many-qubit-to-qudit transformation and reconfigurable qubit architectures to simulate real-time dynamics. Learn about an algorithm for extracting chemically relevant spectral properties through classical co-processing of quantum measurement results. Examine the digital-analog simulation toolbox for efficient Hamiltonian time evolution, utilizing digital Floquet engineering and hardware-optimized multi-qubit operations. Gain insights into an implementation proposal based on Rydberg atom arrays. Understand how detailed spectral and chemical information can be extracted from dynamics through snapshot measurements and single-ancilla control, enabling the evaluation of excitation energies and finite-temperature susceptibilities from a single dataset. See practical applications of this method in computing key properties of polynuclear transition-metal catalysts and 2D magnetic materials.

Quantum chemistry with a quantum computer