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Fighting Noise with Noise: A Stochastic Projective Quantum Eigensolver.

Maria-Andreea Filip
Published in: Journal of chemical theory and computation (2024)
In the current noisy intermediate scale quantum era of quantum computation, available hardware is severely limited by both qubit count and noise levels, precluding the application of many current hybrid quantum-classical algorithms to nontrivial quantum chemistry problems. In this paper we propose applying some of the fundamental ideas of conventional Quantum Monte Carlo algorithms─stochastic sampling of both the wave function and the Hamiltonian─to quantum algorithms in order to significantly decrease quantum resource costs. In the context of an imaginary-time propagation based projective quantum eigensolver, we present a novel approach to estimating physical observables which can lead to an order of magnitude reduction in the required sampling of the quantum state to converge the ground state energy of a system relative to current state-of-the-art eigensolvers. The method can be equally applied to excited-state calculations and, combined with stochastic approximations of the system Hamiltonian, provides a promising near-term approach to Hamiltonian simulation for general chemistry on quantum devices.
Keyphrases
  • molecular dynamics
  • monte carlo
  • energy transfer
  • machine learning
  • density functional theory
  • mental health
  • air pollution
  • molecular dynamics simulations
  • gestational age
  • drug discovery