Quantum spin simulations of frustrated lattices remain challenging for both classical and quantum algorithms, particularly in parameter regimes relevant to quantum spin liquid (QSL) phases. In this work, we apply Sample-based Krylov Quantum Diagonalization (SKQD) to estimate the ground state of the antiferromagnetic XXZ Heisenberg model on the
J1--
J2 square lattice, the Kagome lattice, and a 1D chain, studying system sizes from 12 to 72 spins. In our application of SKQD, we identify a ZZ deformation of
Δ=2 as a sufficiently sparse Hamiltonian and introduce two modifications to the SKQD framework tailored to spin models: a canonical bitstring compression scheme that preserves the effectiveness of configuration recovery under spin-flip degeneracy, and the use of multiple Krylov subspaces to improve ground state coverage without any increase in quantum resources. For the 1D chain and Kagome lattice, SKQD achieves sub-percent ground-state energy errors at system sizes up to 24 spins, including a relative error of
0.002% on the 12-site Kagome lattice, surpassing the best prior VQE result of
0.01% on the same system while requiring no variational optimization. SKQD further extends to system sizes well beyond the reach of prior quantum algorithm studies, reaching 72 spins across all three geometries. Beyond 24 spins, accuracy degrades to relative errors of
19%--
36% at 72 sites, but the gradual scaling of error with system size suggests these limits are set by available shot budgets and circuit depth rather than fundamental algorithmic constraints. Although classical tensor network methods remain state-of-the-art for these models, this work establishes a new benchmark for quantum simulation of the frustrated Heisenberg model and demonstrates SKQD as a scalable, hardware-compatible approach for studying strongly correlated spin systems.
We apply the recently proposed Sample-based Krylov Quantum Diagonalization (SKQD) method to lattice gauge theories, using the Schwinger model with a
θ-term as a benchmark. SKQD approximates the ground state of a Hamiltonian, employing a hybrid quantum-classical approach: (i) constructing a Krylov space from bitstrings sampled from time-evolved quantum states, and (ii) classically diagonalizing the Hamiltonian within this subspace. We study the dependence of the ground-state energy and particle number on the value of the
θ-term, accurately capturing the model's phase structure. The algorithm is implemented on trapped-ion and superconducting quantum processors, demonstrating consistent performance across platforms. We show that SKQD substantially reduces the effective Hilbert space, and although the Krylov space dimension still scales exponentially, the slower growth underscores its promise for simulating lattice gauge theories in larger volumes.
We generalize the sample-based Krylov quantum diagonalization (SKQD) method from ground-state calculations to the evaluation of single-particle Green's functions. By constructing and sampling unitary Krylov subspaces in the N +/- 1 particle-number sectors and evaluating all sector-connecting overlaps classically, the approach reconstructs the Green's function via a Lanczos continued fraction while retaining the shallow-circuit, ancilla-free character of SKQD. The quantum device is required only to prepare and sample short-time evolutions. Applied to the particle-hole-symmetric single-impurity Anderson model in chain geometry, with the discrete bath representation used in dynamical mean-field theory (DMFT), the method recovers the spectral function using a relatively small fraction of the full Hilbert space. Across a range of interaction strengths that spans the metal-insulator transition, the main spectral features are reproduced. These results suggest that SKQD-based Green's-function calculations may allow DMFT impurity solvers with a larger number of bath sites on near-term quantum hardware than is currently practical.
We study the application of sample-based Krylov quantum diagonalization (SKQD) to a two-dimensional pure
Z2 lattice gauge theory. SKQD samples configurations from states obtained via time-evolution quantum circuits, projects the Hamiltonian into the subspace spanned by the sampled configurations, and solves an eigenvalue problem to estimate the ground-state energy. We consider a model defined on a triangular lattice, which allows for an efficient construction of time-evolution circuits on the IBM Quantum Heron processor. We also propose a configuration recovery method based on Gauss's law and a conditional restricted Boltzmann machine (CRBM), to mitigate the effects of noise. We simulate a lattice of 108 links using the superconducting quantum processor
ibm_kawasaki, which allows us to obtain the ground-state energy within a few percent of tensor network results. We also compare configuration recovery with and without the CRBM, and observe that the CRBM improves the accuracy at each iteration.
Quantum algorithms based on classical processing of individual samples have recently emerged as a promising route to perform large-scale quantum-chemical calculations on pre-fault-tolerant and early-fault-tolerant quantum devices. In these algorithms, the quantum computer acts as a sampling engine that generates the subspace in which the Hamiltonian is classically diagonalized. The recently proposed Sample-based Krylov Quantum Diagonalization (SKQD) uses quantum Krylov states as circuits from which samples are collected. Convergence guarantees can be derived for SKQD under assumptions similar to those of quantum phase estimation -- namely, a sufficiently large overlap between the reference and the target ground state -- with the additional requirement that the ground-state wave function be well approximated by a polynomial subset of the full Hilbert space. However, implementations of SKQD for complex many-body Hamiltonians, such as quantum chemistry ones, are limited by the depths of time-evolution circuits needed to generate Krylov vectors. In this work, we introduce a method that combines SKQD with a qDRIFT randomized compilation of the Hamiltonian propagator. The resulting algorithm, termed SqDRIFT, enables executing quantum chemistry experiments on present-day quantum processors while retaining provable convergence guarantees, which we extend to account for the error of the randomized compilation and of finite sampling. We demonstrate its viability by applying SqDRIFT to calculate the electronic ground-state energy of several polycyclic aromatic hydrocarbons, up to system sizes beyond the reach of exact diagonalization.
Sample-based Krylov quantum diagonalization (SKQD) is a paradigmatic example of a quantum-centric supercomputing workflow that combines the convergence structure of Krylov quantum diagonalization with classical sampling-based post-processing. It provides convergence guarantees assuming that the important computational-basis configurations can be sampled from a set of Krylov states with sufficient probability. We analyze this assumption under depolarizing noise, deriving shot-count resource estimates that expose an exponential depth penalty, and perform experiments on current noisy hardware with the one-dimensional single-impurity Anderson model on a 20-site (40-qubit) instance. Device noise breaks the practical convergence predicted by the noiseless SKQD analysis, but approximate compilation techniques can compress the Krylov time-evolution circuits before execution. The compressed circuits accumulate less hardware noise, recover the expected energy convergence, and reduce both the quantum shot budget and the classical subspace dimension, remaining beneficial even when classical configuration recovery is applied.