290 citations · 735 across the 13 of their papers we have counts for
13 papers
Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene
Joshua Goings, Luning Zhao, Jacek Jakowski +2
Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of…
Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers
Luning Zhao, Joshua Goings, Kenneth Wright +8
Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQ…
Application-Oriented Performance Benchmarks for Quantum Computing
Thomas Lubinski, Sonika Johri, Paul Varosy +6
In this work we introduce an open source suite of quantum application-oriented performance benchmarks that is designed to measure the effectiveness of quantum computing hardware at…
Excited State Mean-Field Theory without Automatic Differentiation
Luning Zhao, Eric Neuscamman
We present a formulation of excited state mean-field theory in which the derivatives with respect to the wave function parameters needed for wave function optimization (not to be c…
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion Quantum Monte Carlo
P. R. C. Kent, Abdulgani Annaberdiyev, Anouar Benali +21
We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and rep…
A Density Functional Extension to Excited State Mean-Field Theory
Luning Zhao, Eric Neuscamman
We investigate an extension of excited state mean-field theory in which the energy expression is augmented with density functional components in an effort to include the effects of…