Preserving Symmetries for Variational Quantum Eigensolvers in the Presence of Noise

One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver (VQE). We show that encoding symmetries of the simulated Hamiltonian in the VQE ansatz reduces both classical and quantum resources compared to other widely available ansatze. Through simulations of the H2 molecule and of a Heisenberg model on a two-dimensional lattice, we verify that these improvements persist in the presence of noise. This is done using both real IBM devices and classical simulations. We also demonstrate how these techniques can be used to find molecular excited states of various symmetries using a noisy processor. We use error-mitigation techniques to further improve the quality of our results.

Automated summary

Encoding symmetries of the simulated Hamiltonian in the VQE ansatz can reduce classical and quantum resources, and these improvements persist in the presence of noise, as demonstrated through simulations of H2 molecule and a Heisenberg model. Error-mitigation techniques further improve the quality of results.