Determination of Molecular Energies via Quantum Imaginary Time Evolution in a Superconducting Qubit System
Fuente:
arXiv
Gespeichert in:
| Hauptverfasser: | , , , , , , , , , , , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2023
|
| Schlagworte: | |
| Online-Zugang: | |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866909142728310784 |
|---|---|
| author | Zong, Zhiwen Huai, Sainan Cai, Tianqi Jin, Wenyan Zhan, Ze Zhang, Zhenxing Bu, Kunliang Sui, Liyang Fei, Ying Zheng, Yicong Zhang, Shengyu Wu, Jianlan Yin, Yi |
| author_facet | Zong, Zhiwen Huai, Sainan Cai, Tianqi Jin, Wenyan Zhan, Ze Zhang, Zhenxing Bu, Kunliang Sui, Liyang Fei, Ying Zheng, Yicong Zhang, Shengyu Wu, Jianlan Yin, Yi |
| contents | As a valid tool for solving ground state problems, imaginary time evolution (ITE) is widely used in physical and chemical simulations. Different ITE-based algorithms in their quantum counterpart have recently been proposed and applied to some real systems. We experimentally realize the variational-based quantum imaginary time evolution (QITE) algorithm to simulate the ground state energy of hydrogen (H2) and lithium hydride (LiH) molecules in a superconducting qubit system. The H2 molecule is directly simulated using the 3-qubit circuit with unitary-coupled clusters (UCC) ansatz. We also combine QITE with the cluster mean-field (CMF) method to obtain an effective Hamiltonian. The LiH molecule is correspondingly simulated using the 3-qubit circuit with hardware-efficient ansatz. For comparison, the LiH molecule is also directly simulated using the 4-qubit circuit with UCC ansatz at the equilibrium point. All the experimental results show a convergence within 4 iterations, with high-fidelity ground state energy obtained. For a more complex system in the future, the CMF may allow further grouping of interactions to obtain an effective Hamiltonian, then the hybrid QITE algorithm can possibly simulate a relatively large-scale system with fewer qubits. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2303_01098 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Determination of Molecular Energies via Quantum Imaginary Time Evolution in a Superconducting Qubit System Zong, Zhiwen Huai, Sainan Cai, Tianqi Jin, Wenyan Zhan, Ze Zhang, Zhenxing Bu, Kunliang Sui, Liyang Fei, Ying Zheng, Yicong Zhang, Shengyu Wu, Jianlan Yin, Yi Quantum Physics As a valid tool for solving ground state problems, imaginary time evolution (ITE) is widely used in physical and chemical simulations. Different ITE-based algorithms in their quantum counterpart have recently been proposed and applied to some real systems. We experimentally realize the variational-based quantum imaginary time evolution (QITE) algorithm to simulate the ground state energy of hydrogen (H2) and lithium hydride (LiH) molecules in a superconducting qubit system. The H2 molecule is directly simulated using the 3-qubit circuit with unitary-coupled clusters (UCC) ansatz. We also combine QITE with the cluster mean-field (CMF) method to obtain an effective Hamiltonian. The LiH molecule is correspondingly simulated using the 3-qubit circuit with hardware-efficient ansatz. For comparison, the LiH molecule is also directly simulated using the 4-qubit circuit with UCC ansatz at the equilibrium point. All the experimental results show a convergence within 4 iterations, with high-fidelity ground state energy obtained. For a more complex system in the future, the CMF may allow further grouping of interactions to obtain an effective Hamiltonian, then the hybrid QITE algorithm can possibly simulate a relatively large-scale system with fewer qubits. |
| title | Determination of Molecular Energies via Quantum Imaginary Time Evolution in a Superconducting Qubit System |
| topic | Quantum Physics |
| url | https://arxiv.org/abs/2303.01098 |