307 citations · 1k across the 20 of their papers we have counts for
20 papers
Fault-tolerant quantum algorithm for symmetry-adapted perturbation theory
Cristian L. Cortes, Matthias Loipersberger, Robert M. Parrish +9
The efficient computation of observables beyond the total energy is a key challenge and opportunity for fault-tolerant quantum computing approaches in quantum chemistry. Here we co…
Simple Computation of the MultiExp Gaussian Quadrature in Double Precision
Robert M. Parrish
The MultiExp Gaussian quadrature rule proposed by Gill and Chien has many compelling properties for the integration of radial integrands encountered in electronic structure, but th…
Fault-tolerant quantum computation of molecular observables
Mark Steudtner, Sam Morley-Short, William Pol +8
Over the past three decades significant reductions have been made to the cost of estimating ground-state energies of molecular Hamiltonians with quantum computers. However, compara…
Drug design on quantum computers
Raffaele Santagati, Alan Aspuru-Guzik, Ryan Babbush +12
Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the c…
Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
Oumarou Oumarou, Maximilian Scheurer, Robert M. Parrish +2
We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulati…
A stochastic quantum Krylov protocol with double factorized Hamiltonians
Nicholas H. Stair, Cristian L. Cortes, Robert M. Parrish +2
We propose a class of randomized quantum Krylov diagonalization (rQKD) algorithms capable of solving the eigenstate estimation problem with modest quantum resource requirements. Co…