The pursuit of high-resolution eigenspectroscopy on noisy intermediate-scale quantum devices is often hindered by the trade-off between circuit depth and coherence time. In this work, we introduce and experimentally demonstrate a dynamical eigenspectroscopy protocol that extracts fine-grained energy structures from time-dependent survival amplitudes. To overcome the finite coherence window of current superconducting processors, we employ Variational Trotter Compression (VTC) as a practical means to extend the duration of high-fidelity unitary evolution. Using a multi-connected 9-qubit superconducting processor, we reconstruct the time-domain autocorrelation signal via quantum state tomography for the H2 molecule at different bond lengths and for the Fermi-Hubbard model across different correlation regimes. Through multi-frequency fitting and Fourier analysis, the extracted eigenenergies agree with the exact-diagonalization values to within 2x10^-3, including the near-degenerate levels in the strongly interacting regime. Our results establish experimental dynamical spectroscopy as a robust and generalizable framework for simulating both quantum chemistry and strongly correlated lattice systems, bridging weak- and strong-coupling regimes on near-term quantum hardware.
The pursuit of high-resolution eigenspectroscopy on noisy intermediate-scale quantum devices is often hindered by the trade-off between circuit depth and coherence time. In this work, we introduce and experimentally demonstrate a dynamical eigenspectroscopy protocol that extracts fine-grained energy structures from time-dependent survival amplitudes. To overcome the finite coherence window of current superconducting processors, we employ Variational Trotter Compression (VTC) as a practical means to extend the duration of high-fidelity unitary evolution. Using a multi-connected 9-qubit superconducting processor, we reconstruct the time-domain autocorrelation signal via quantum state tomography for the H2 molecule at different bond lengths and for the Fermi-Hubbard model across different correlation regimes. Through multi-frequency fitting and Fourier analysis, the extracted eigenenergies agree with the exact-diagonalization values to within 2x10^-3, including the near-degenerate levels in the strongly interacting regime. Our results establish experimental dynamical spectroscopy as a robust and generalizable framework for simulating both quantum chemistry and strongly correlated lattice systems, bridging weak- and strong-coupling regimes on near-term quantum hardware.
We report experimental digital quantum simulation of the one-dimensional Fermi-Hubbard model on a superconducting quantum processor at a scale beyond the reach of exact statevector simulation and challenging for state-of-the-art tensor-network methods. We encode this problem using up to 120 qubits through an efficient mapping that reduces circuit complexity, and we improve accuracy through error suppression to simulate dynamical evolution using up to 90 Trotter steps. From a vacancy defect introduced in the middle of an L=31-site (62-qubit) Néel initial state, we directly observe spin-charge separation to t=9 in natural units and quantitatively extract velocities vc, vs, which match classical simulations across model parameters, and analytics in appropriate regimes. We then extend experiments to L=60 fermions (120 qubits) and evolution times to t=6 using 30 Trotter steps. Quantum-processor outputs agree quantitatively with approximate classical simulations performed using a time-dependent variational principle (TDVP) solver and we observe that increasing the TDVP bond dimension through χ=4096 expands the range of evolution times within which agreement has RMSE ∼1% before the approaches diverge. Owing to the large scale of the simulation and the use of overhead-free error-suppression techniques, for simulated evolution times at the limit of quantum/classical agreement (t≳5 in natural hopping units), the wall-clock runtime of the quantum processor is nearly three orders of magnitude faster than TDVP simulations with χ=4096 and implemented using the ITensor and TeNPy packages. These results establish contemporary digital quantum processors as a versatile, quantitatively accurate, and competitive platform for the study of fermionic many-body dynamics in regimes where leading classical methods can become prohibitively expensive.
Recent practical approaches for the use of current generation noisy quantum devices in the simulation of quantum many-body problems have been dominated by the use of a variational quantum eigensolver (VQE). These coupled quantum-classical algorithms leverage the ability to perform many repeated measurements to avoid the currently prohibitive gate depths often required for exact quantum algorithms, with the restriction of a parametrized circuit to describe the states of interest. In this work, we show how the calculation of zero-temperature dynamic correlation functions defining the linear response characteristics of quantum systems can also be recast into a modified VQE algorithm, which can be incorporated into the current variational quantum infrastructure. This allows for these important physical expectation values describing the dynamics of the system to be directly converged on the frequency axis, and they approach exactness over all frequencies as the flexibility of the parametrization increases. The frequency resolution hence does not explicitly scale with gate depth, which is approximately twice as deep as a ground-state VQE. We apply the method to compute the single-particle Green's function of ab initio dihydrogen and lithium hydride molecules, and demonstrate the use of a practical active space embedding approach to extend to larger systems. While currently limited by the fidelity of two-qubit gates, whose number is increased compared to the ground-state algorithm on current devices, we believe the approach shows potential for the extraction of frequency dynamics of correlated systems on near-term quantum processors.
Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations because of restricted numbers of high-fidelity qubits and short coherence times. To overcome these challenges, we introduce a reduced-density-matrix (RDM)-based perturbative variational quantum eigensolver (VQE) framework that augments active-space VQE with perturbation theory to recover electron correlation beyond the active space without increasing the qubit count or variational circuit depth. We formulated a fully coupled approach (VQE-PTs) and a diagonal approximation (VQE-PT). The former retains couplings among orthonormalized perturbers, whereas the latter neglects these couplings to simplify the classical postprocessing. Numerical simulations of HF, N2, and F2 show that VQE-PTs provides a robust formulation across different molecular systems, while VQE-PT offers an efficient approximation. We further experimentally implement VQE-PT on the Quafu superconducting quantum processor for F2, achieving a mean absolute error of 1.2 mHa along the potential energy surface after error mitigation. These results demonstrate perturbative VQE as a practical framework for incorporating dynamic correlations in quantum chemistry simulations.
Compiling time-evolution operators of the form U(t)=e−iHt into hardware-native gate sequences is a central bottleneck for digital quantum simulation on noisy intermediate-scale quantum (NISQ) devices. Generic transpilation treats U(t) as an arbitrary unitary, discarding the structure of Hamiltonian dynamics and producing circuits whose depth exceeds hardware coherence limits. We introduce a structure-aware compilation framework that treats product-formula decompositions as synthesis primitives rather than simulation approximations. The method combines (i) native placement of Hamiltonian terms onto the hardware coupling map, (ii) adaptive selection of Trotter blocks via a greedy discretization procedure, and (iii) variational refinement using a Trotter-initialized ansatz. Across Heisenberg, Ising, and XY models with n=3--8 qubits, the compiled circuits achieve fidelities F>0.996 with approximately linear scaling in the number of entangling gates, while generic synthesis produces circuits that are orders of magnitude deeper. On IBM Torino hardware, we observe a regime in which shorter approximate circuits outperform deeper exact decompositions: a 27-CX circuit achieves higher hardware fidelity (Fhw=0.987) than a 187-CX exact circuit. These results demonstrate that, in the NISQ regime, structure-aware approximate compilation can outperform exact structure-agnostic synthesis, providing a practical pathway for executing Hamiltonian dynamics without requiring pulse-level control.
Floquet engineering—the periodic driving of quantum systems—offers a powerful pathway to realize exotic nonequilibrium phases, including topological Floquet insulators and discrete time crystals. However, computing the quasienergy band structure of interacting, many-body Floquet systems remains a formidable challenge for classical computers due to the exponential growth of the Hilbert space and the difficulty of diagonalizing the non-Hermitian effective Floquet Hamiltonian. In this work, we introduce and experimentally demonstrate a variational quantum algorithm (VQA) tailored specifically for the near-term computation of Floquet quasienergy bands. Unlike standard variational eigensolvers that minimize static energy expectations, our approach employs a parameterized quantum circuit to prepare variational trial states and directly extracts the quasienergy spectrum via a Hadamard-test-based cost function that measures the complex overlap with the single-period Floquet unitary propagator. By scanning the conserved crystal momentum, we reconstruct the full quasienergy dispersion for both one- and two-dimensional lattice models. We benchmark the algorithm against exact diagonalization for system sizes up to N=8N=8 qubits and subsequently deploy it on superconducting transmon processors, systematically characterizing the impact of decoherence, gate infidelity, and readout errors on the resolved band structure. To mitigate hardware noise, we integrate zero-noise extrapolation and measurement-error mitigation, recovering quasienergy features with fidelities exceeding 90% for shallow circuit depths. Our results establish that variational phase-estimation protocols offer a scalable, hardware-efficient route to exploring driven quantum matter, providing a practical toolkit for simulating Floquet topological phenomena on current-generation quantum devices well before the advent of fault-tolerant quantum computation.
Abstract Quantum computers promise to solve electronic structure, lattice dynamics, and strongly correlated problems beyond classical reach. However, near-term noisy intermediate scale quantum (NISQ) processors require systematic benchmarking to establish where variational algorithms with error mitigation can achieve chemical accuracy and cor rectly predict physical phenomena. Here we present 28 quantum material simula tions implemented with Qiskit, spanning molecular hydrogen (H 2 ) through the iron molybdenum cofactor (FeMoco), one-dimensional Hubbard chains, Kitaev honeycomb spin liquids, topological insulators (SSH model), BCS superconductors, and disordered Anderson insulators. Using the variational quantum eigensolver (VQE) with UCCSD ansatz, we achieve chemical accuracy (±1.6 mHa) for H 2 across the full dissociation curve and recover exact ground-state energies for H4 within 9 mHa after zero-noise extrapolation (ZNE) — reducing raw VQE errors from 152 mHa to 9 mHa. We accu rately identify the transverse-field Ising quantum critical point (h c = J) with 4 qubits, resolve Majorana Dirac dispersions in the Kitaev spin liquid, and reproduce the Mott transition in the Fermi-Hubbard model at U c = 6t. Resource estimation for FeMoco reveals O(N 2.5 ) scaling, projecting chemical accuracy with ∼200 logical qubits. Across all benchmarks, we quantify the accuracy-circuit depth tradeoff, demonstrating that depth-6 VQE ans¨atze achieve chemical accuracy for small molecules while depth-10 is required for correlated lattices. These results establish a comprehensive benchmark suite for evaluating quantum hardware, error mitigation protocols, and variational al gorithms for materials science on NISQ processors.