An Engineering Algorithm For Chemical Accuracy With Shallow Quantum Circuits


A technical paper titled “Towards chemical accuracy with shallow quantum circuits: A Clifford-based Hamiltonian engineering approach” was published by researchers at California Institute of Technology (Caltech), Microsoft Research AI4Science Lab, and Tencent Quantum Lab.


“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.”

Find the technical paper here. Revised December 2023 (preprint).

Sun, Jiace, Lixue Cheng, and Weitang Li. “Towards chemical accuracy with shallow quantum circuits: A Clifford-based Hamiltonian engineering approach.” arXiv preprint arXiv:2306.12053 (2023).

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