Development of Zero-Noise Extrapolated Projection Based Quantum Algorithm for Accurate Evaluation of Molecular Energetics in Noisy Quantum Devices

Abstract

The recently developed Projective Quantum Eigensolver (PQE) offers an elegant procedure to evaluate the ground state energies of molecular systems on quantum computers. However, the noise in available quantum hardware can result in significant errors in computed outcomes, limiting the realization of quantum advantage. Although PQE comes equipped with some degree of inherent noise resilience, any practical implementation with apposite accuracy would require additional routines to suppress the errors further. In this work, we propose a way to enhance the efficiency of PQE by developing an optimal framework for introducing Zero Noise Extrapolation (ZNE) in the nonlinear iterative procedure that outlines the PQE; leading to the formulation of ZNE-PQE. For this method, we perform a detailed analysis of how various components involved in it affect the accuracy and efficiency of the reciprocated energy convergence trajectory. Moreover, we investigate the reasons behind the improvements observed in ZNE-PQE over conventional PQE by performing a comparative analysis of their residue norm landscape. This approach is expected to facilitate practical applications of quantum computing in fields related to molecular sciences, where it is essential to determine molecular energies accurately.

References in corpus (42)

• Quantum Computing in the NISQ era and beyond
• Fault-tolerant quantum computation by anyons
• A variational eigenvalue solver on a quantum processor
• Quantum Computing
• Good Quantum Error-Correcting Codes Exist
• The theory of variational hybrid quantum-classical algorithms
• Topological quantum memory
• Error mitigation for short-depth quantum circuits
• A Theory of Fault-Tolerant Quantum Computation
• Extending the computational reach of a noisy superconducting quantum processor
• Fault-tolerant quantum computation with high threshold in two dimensions
• Prescription for experimental determination of the dynamics of a quantum black box
• Scalable Quantum Simulation of Molecular Energies
• Elucidating Reaction Mechanisms on Quantum Computers
• Towards Practical Quantum Variational Algorithms
• Complete Characterization of a Quantum Process: the Two-Bit Quantum Gate
• Exact and Approximate Unitary 2-Designs: Constructions and Applications
• Efficient variational quantum simulator incorporating active error minimisation
• Quantum Error Mitigation
• Practical Quantum Error Mitigation for Near-Future Applications
• Scalable Noise Estimation with Random Unitary Operators
• Direct Fidelity Estimation from Few Pauli Measurements
• Demonstration of qubit operations below a rigorous fault tolerance threshold with gate set tomography
• Quantum algorithms for electronic structure calculations: particle/hole Hamiltonian and optimized wavefunction expansions
• Simulating chemistry using quantum computers
• Mitigating measurement errors in multi-qubit experiments
• Quantum Error Correction: An Introductory Guide
• Resilient Quantum Computation: Error Models and Thresholds
• Practical characterization of quantum devices without tomography
• Gate count estimates for performing quantum chemistry on small quantum computers
• Symmetrised Characterisation of Noisy Quantum Processes
• Randomized benchmarking and process tomography for gate errors in a solid-state qubit
• Low-cost error mitigation by symmetry verification
• Exact Parameterization of Fermionic Wave Functions via Unitary Coupled Cluster Theory
• Digital zero noise extrapolation for quantum error mitigation
• Fundamental limits of quantum error mitigation
• Resource Efficient Zero Noise Extrapolation with Identity Insertions
• Exponential Error Suppression for Near-Term Quantum Devices
• Modelling and Simulating the Noisy Behaviour of Near-term Quantum Computers
• Error-Mitigated Quantum Gates Exceeding Physical Fidelities in a Trapped-Ion System
• Neural Error Mitigation of Near-Term Quantum Simulations
• Simulating Many-Body Systems with a Projective Quantum Eigensolver

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• Blockwise Optimization for Projective Variational Quantum Dynamics (BLOP-VQD): Algorithm and Implementation for Lattice Systems