We present an adaptive variational quantum algorithm to estimate the Berry phase accumulated by a nondegenerate ground state under cyclic, adiabatic evolution of a time-dependent Hamiltonian. Our method leverages cyclic adiabatic evolution of the Hamiltonian and employs adaptive variational quantum algorithms for state preparation and evolution, optimizing circuit efficiency while maintaining high accuracy. We benchmark our approach on dimerized Fermi–Hubbard chains with four sites, demonstrating precise Berry phase simulations in both noninteracting and interacting regimes. Our results show that circuit depths reach up to 106 layers for noninteracting systems and increase to 279 layers for interacting systems due to added complexity. In addition, we demonstrate the robustness of our scheme across a wide range of parameters governing adiabatic evolution and variational algorithms. These findings highlight the potential of adaptive variational quantum algorithms for advancing quantum simulations of topological materials and computing geometric phases in strongly correlated systems.
We present an adaptive variational quantum algorithm to estimate the Berry phase accumulated by a nondegenerate ground state under cyclic, adiabatic evolution of a time-dependent Hamiltonian. Our method leverages cyclic adiabatic evolution of the Hamiltonian and employs adaptive variational quantum algorithms for state preparation and evolution, optimizing circuit efficiency while maintaining high accuracy. We benchmark our approach on dimerized Fermi–Hubbard chains with four sites, demonstrating precise Berry phase simulations in both noninteracting and interacting regimes. Our results show that circuit depths reach up to 106 layers for noninteracting systems and increase to 279 layers for interacting systems due to added complexity. In addition, we demonstrate the robustness of our scheme across a wide range of parameters governing adiabatic evolution and variational algorithms. These findings highlight the potential of adaptive variational quantum algorithms for advancing quantum simulations of topological materials and computing geometric phases in strongly correlated systems.
Gate-based quantum computers can in principle simulate the adiabatic dynamics of a large class of Hamiltonians. Here, we consider the cyclic adiabatic evolution of a parameter in the Hamiltonian. We propose a quantum algorithm to estimate the Berry phase and use it to classify the topological order of both single-particle and interacting models, highlighting the differences between the two. This algorithm is extensible to an interacting topological system. Our results evidence the potential of near-term quantum hardware for the topological classification of quantum matter.
We present and benchmark quantum computing approaches for calculating real-time single-particle Green's functions and nonlinear susceptibilities of Hamiltonian systems. The approaches leverage adaptive variational quantum algorithms for state preparation and propagation. Using automatically generated compact circuits, the dynamical evolution is performed over sufficiently long times to achieve adequate frequency resolution of the response functions. We showcase accurate Green's function calculations using a statevector simulator on classical hardware for Fermi-Hubbard chains of 4 and 6 sites, with maximal ansatz circuit depths of 65 and 424 layers, respectively, and for the molecule LiH with a maximal ansatz circuit depth of 81 layers. Additionally, we consider an antiferromagnetic quantum spin-1 model that incorporates the Dzyaloshinskii-Moriya interaction to illustrate calculations of the third-order nonlinear susceptibilities, which can be measured in two-dimensional coherent spectroscopy experiments. These results demonstrate that real-time approaches using adaptive parametrized circuits to evaluate linear and nonlinear response functions can be feasible with near-term quantum processors.
Preparing ground states of correlated molecules on near-term quantum computers requires algorithms that are both accurate and resource-efficient. We introduce the qubit-adaptive variational quantum imaginary time evolution (QAITE) algorithm, which synthesizes the systematic convergence of imaginary-time evolution with hardware-efficient, adaptive ansatz construction. By integrating the linear-scaling qubit operator pool into the adaptive variational quantum imaginary time evolution framework, QAITE deterministically constructs a compact ansatz without costly classical optimization loops. Numerical simulations for molecular systems (H4, LiH, H2O, BeH2), benchmarked against our own implementations of established adaptive algorithms under identical conditions, show that QAITE achieves chemical accuracy with a 15-45% reduction in CNOT gates compared to the standard adaptive variational quantum imaginary time evolution (AVQITE) method. For hydrogen chains (RHH = 1.5 Å, N = 6-16 qubits), QAITE's circuit complexity grows approximately quadratically and remains the lowest of the four methods at every system size, reaching 31% fewer CNOT gates than AVQITE at 16 qubits─a saving of 1322 gates. This efficiency extends to heterogeneous (LiH)n and (HBe)n chains, where QAITE maintains a CNOT gate ratio below 1 for all sizes studied (e.g., 0.81 for (LiH)2). We further show that the deterministic parameter update is numerically robust: the results are insensitive to the regularization of the quantum geometric tensor over at least 4 orders of magnitude, and chemical accuracy is retained under realistic shot noise applied to both the quantum geometric tensor and the force vector. By outperforming established adaptive algorithms in both absolute gate count and scaling, QAITE establishes a promising, scalable pathway for quantum molecular simulations on noisy intermediate-scale quantum devices.
We design an adiabatic quantum algorithm for the counting problem, i.e., approximating the proportion, α, of the marked items in a given database. As the quantum system undergoes a designed cyclic adiabatic evolution, it acquires a Berry phase 2πα. By estimating the Berry phase, we can approximate α, and solve the problem. For an error bound ε, the algorithm can solve the problem with cost of order (ε1)3/2, which is not as good as the optimal algorithm in the quantum circuit model, but better than the classical random algorithm. Moreover, since the Berry phase is a purely geometric feature, the result may be robust to decoherence and resilient to certain noise.
We propose an efficient circuit structure of variational quantum circuit Ans\"atze used for the variational quantum eigensolver (VQE) algorithm in calculating gapped topological phases on the currently feasible noisy intermediate-scale quantum computers. An efficient circuit Ansatz should include two layers: the initialization layer and the variational layer. In the initialization layer, a fixed-depth circuit state with a compatible entanglement structure to the target topological phase is constructed. The circuit state is further adjusted subsequently to capture the details of the local correlations, which is dictated with the Hamiltonian, in the parametrized variational layer. Based on this strategy, we design a circuit Ansatz to investigate the symmetry-protected topological Haldane phase in a nonexactly solvable alternating spin-21 Heisenberg chain by VQE calculations. Main characterizations of the Haldane phase, including the long-ranged string order, the fourfold nearly degenerate ground states associated with four different localized edge-mode patterns for the system with open boundaries, and the twofold degeneracy of the entanglement spectrum, are all observed for the optimized shallow circuit state with only one-depth variational layer both in numerical simulations and on real quantum computers. We further demonstrate that the computational capacity (i.e., expressibility) of this quantum circuit Ansatz is determined not by the system size but only by the intrinsic correlation length of the system, thus implying that the scalable VQE calculation is possible.
Approximating the ground states of strongly interacting electron systems in quantum chemistry and condensed matter physics is expected to be one of the earliest applications of quantum computers. In this paper, we prepare highly accurate ground states of the Fermi-Hubbard model for small grids of up to six sites (12 qubits) by using an interpretable, adaptive variational quantum eigensolver (VQE) called ADAPT-VQE [H. R. Grimsley et al., Nat. Commun. 10, 3007 (2019)]. In contrast with nonadaptive VQE, this algorithm builds a system-specific ansatz by adding an optimal gate built from one-body or two-body fermionic operators at each step. We show this adaptive method outperforms the nonadaptive counterpart in terms of fewer variational parameters, short gate depth, and scaling with the system size. The fidelity and energy of the prepared state appear to improve asymptotically with ansatz depth. We also demonstrate the application of adaptive variational methods by preparing excited states and Green's functions using a proposed ADAPT-SSVQE algorithm. Lower depth, asymptotic convergence, noise tolerance of a variational approach [A. Peruzzo et al., Nat. Commun. 5, 4213 (2014); J. R. McLean et al., New J. Phys. 18, 023023 (2016); K. Sharma et al., New J. Phys. 22, 043006 (2020)], and a highly controllable, system-specific ansatz make the adaptive variational methods particularly well suited for noisy intermediate-scale quantum devices.