Towards chemical accuracy with shallow quantum circuits: A Clifford-based Hamiltonian engineering approach

Abstract

Achieving chemical accuracy with shallow quantum circuits is a significant challenge in quantum computational chemistry, particularly for near-term quantum devices. In this work, we present a Clifford-based Hamiltonian engineering algorithm, namely CHEM, that addresses the trade-off between circuit depth and accuracy. Based on variational quantum eigensolver and hardware-efficient ansatz, our method designs Clifford-based Hamiltonian transformation that (1) ensures a set of initial circuit parameters corresponding to the Hartree--Fock energy can be generated, (2) effectively maximizes the initial energy gradient with respect to circuit parameters, (3) imposes negligible overhead for classical processing and does not require additional quantum resources, and (4) is compatible with any circuit topology. We demonstrate the efficacy of our approach using a quantum hardware emulator, achieving chemical accuracy for systems as large as 12 qubits with fewer than 30 two-qubit gates. Our Clifford-based Hamiltonian engineering approach offers a promising avenue for practical quantum computational chemistry on near-term quantum devices.

arXiv comment14 pages, 6 figures. SI is included

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Cited by in corpus (7)

• Efficient and Robust Parameter Optimization of the Unitary Coupled-Cluster Ansatz
• Stabilizer ground states for simulating quantum many-body physics: theory, algorithms, and applications
• Asymmetry Control in a Parametric Oscillator for the Quantum Simulation of Chemical Activation
• Quantum Machine Learning of Molecular Energies with Hybrid Quantum-Neural Wavefunction
• Clifford circuit based heuristic optimization of fermion-to-qubit mappings
• Reduced Sampling Overhead for Probabilistic Error Cancellation by Pauli Error Propagation
• Clifford Transformations for Fermionic Quantum Systems: From Paulis to Majoranas to Fermions