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Symmetry breaking slows convergence of the ADAPT Variational Quantum Eigensolver
Luke W. Bertels, Harper R. Grimsley, Sophia E. Economou +2
Because quantum simulation of molecular systems is expected to provide the strongest advantage over classical computing methods for systems exhibiting strong electron correlation,…
New Local Explorations of the Unitary Coupled Cluster Energy Landscape
Harper R. Grimsley, Nicholas J. Mayhall
The recent quantum information boom has effected a resurgence of interest in unitary coupled cluster (UCC) theory. Our group's interest in local energy landscapes of unitary ansätz…
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
Ayush Asthana, Ashutosh Kumar, Vibin Abraham +8
Near-term quantum computers are expected to facilitate material and chemical research through accurate molecular simulations. Several developments have already shown that accurate…
ADAPT-VQE is insensitive to rough parameter landscapes and barren plateaus
Harper R. Grimsley, George S. Barron, Edwin Barnes +2
Variational quantum eigensolvers (VQEs) represent a powerful class of hybrid quantum-classical algorithms for computing molecular energies. Various numerical issues exist for these…