1k citations · 1.7k across the 8 of their papers we have counts for
8 papers
Challenging Excited States from Adaptive Quantum Eigensolvers: Subspace Expansions vs. State-Averaged Strategies
Harper R. Grimsley, Francesco A. Evangelista
The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to…
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…
qubit-ADAPT-VQE: An adaptive algorithm for constructing hardware-efficient ansatze on a quantum processor
Ho Lun Tang, V. O. Shkolnikov, George S. Barron +4
Quantum simulation, one of the most promising applications of a quantum computer, is currently being explored intensely using the variational quantum eigensolver. The feasibility a…
Is the Trotterized UCCSD Ansatz chemically well-defined?
Harper R. Grimsley, Daniel Claudino, Sophia E. Economou +2
The variational quantum eigensolver (VQE) has emerged as one of the most promising near-term quantum algorithms that can be used to simulate many-body systems such as molecular ele…
An adaptive variational algorithm for exact molecular simulations on a quantum computer
Harper R. Grimsley, Sophia E. Economou, Edwin Barnes +1
Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecu…