1.8k citations · 4.1k across the 31 of their papers we have counts for
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Estimation of electrostatic interaction energies on a trapped-ion quantum computer
Pauline J. Ollitrault, Matthias Loipersberger, Robert M. Parrish +12
We present the first hardware implementation of electrostatic interaction energies using a trapped-ion quantum computer. As test system for our computation, we focus on the reducti…
Improved precision scaling for simulating coupled quantum-classical dynamics
Sophia Simon, Raffaele Santagati, Matthias Degroote +3
We present a super-polynomial improvement in the precision scaling of quantum simulations for coupled classical-quantum systems in this paper. Such systems are found, for example,…
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…
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…
Quantum-enhanced quantum Monte Carlo: an industrial view
Maximilian Amsler, Peter Deglmann, Matthias Degroote +10
In this work, we test a recently developed method to enhance classical auxiliary-field quantum Monte Carlo (AFQMC) calculations with quantum computers against examples from chemist…
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…