Purification-based quantum error mitigation of pair-correlated electron simulations
arXiv:2210.10799 · doi:10.1038/s41567-023-02240-y
Abstract
An important measure of the development of quantum computing platforms has been the simulation of increasingly complex physical systems. Prior to fault-tolerant quantum computing, robust error mitigation strategies are necessary to continue this growth. Here, we study physical simulation within the seniority-zero electron pairing subspace, which affords both a computational stepping stone to a fully correlated model, and an opportunity to validate recently introduced ``purification-based'' error-mitigation strategies. We compare the performance of error mitigation based on doubling quantum resources in time (echo verification) or in space (virtual distillation), on up to qubits of a superconducting qubit quantum processor. We observe a reduction of error by one to two orders of magnitude below less sophisticated techniques (e.g. post-selection); the gain from error mitigation is seen to increase with the system size. Employing these error mitigation strategies enables the implementation of the largest variational algorithm for a correlated chemistry system to-date. Extrapolating performance from these results allows us to estimate minimum requirements for a beyond-classical simulation of electronic structure. We find that, despite the impressive gains from purification-based error mitigation, significant hardware improvements will be required for classically intractable variational chemistry simulations.
10 pages, 13 page supplementary material, 12 figures. Experimental data available at https://doi.org/10.5281/zenodo.7225821
References in corpus (1)
Cited by in corpus (34)
- Quantum Error Mitigation
- Chemistry Beyond the Scale of Exact Diagonalization on a Quantum-Centric Supercomputer
- Experimental quantum computational chemistry with optimised unitary coupled cluster ansatz
- A Hybrid Quantum Computing Pipeline for Real World Drug Discovery
- Quantum computing for chemistry and physics applications from a Monte Carlo perspective
- ADAPT-QSCI: Adaptive Construction of an Input State for Quantum-Selected Configuration Interaction
- Group-theoretic error mitigation enabled by classical shadows and symmetries
- Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
- Tailored and Externally Corrected Coupled Cluster with Quantum Inputs
- Quantum error mitigation for Fourier moment computation
- Solving an Industrially Relevant Quantum Chemistry Problem on Quantum Hardware
- Towards chemical accuracy with shallow quantum circuits: A Clifford-based Hamiltonian engineering approach
- Localized Virtual Purification
- Quantum-machine-assisted Drug Discovery
- Efficient and Robust Parameter Optimization of the Unitary Coupled-Cluster Ansatz
- Precision ground-state energy calculation for the water molecule on a superconducting quantum processor
- Demonstrating quantum error mitigation on logical qubits
- Error mitigated variational algorithm on a photonic processor
- Virtual mitigation of coherent non-adiabatic transitions by echo verification
- Compressing Hamiltonians with ab initio downfolding for simulating strongly-correlated materials on quantum computers
- Comparison of encoding schemes for quantum computing of spin chains
- Error mitigation and circuit division for early fault-tolerant quantum phase estimation
- Extending Quantum Computing through Subspace, Embedding and Classical Molecular Dynamics Techniques
- Simulation of open quantum systems on universal quantum computers
- Quantum Machine Learning of Molecular Energies with Hybrid Quantum-Neural Wavefunction
- Low Depth Virtual Distillation of Quantum Circuits by Deterministic Circuit Decomposition
- Bridging Quantum Computing and Nuclear Structure: Atomic Nuclei on a Trapped-Ion Quantum Computer
- OnionVQE Optimization Strategy for Ground State Preparation on NISQ Devices
- Feasibility of performing quantum chemistry calculations on quantum computers
- Error-mitigated inference of quantum network topology
- Towards Compact Wavefunctions from Quantum-Selected Configuration Interaction
- The Efficiency Frontier: Classical Shadows versus Direct Quantum Measurement
- Near-Term Fermionic Simulation with Subspace Noise Tailored Quantum Error Mitigation
- Constrained Shadow Tomography for Molecular Simulation on Quantum Devices