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arXiv:2507.06361

Utility-Scale Quantum Computation of Ground-State Energy in a 100+ Site Planar Kagome Antiferromagnet via Hamiltonian Engineering

Ahsan, Muhammad

Published Jul 8, 2025• 0 citations
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Abstract

We present experimental quantum computation of the ground-state energy in a 103-site flat Kagome lattice under the antiferromagnetic Heisenberg model (KAFH), with IBM's Heron r1 and Heron r2 quantum processors. For spin-1/2 KAFH, our per-site ground-state energy estimate is $-0.417\,J$, which, under open-boundary corrections, matches the energy in the thermodynamic limit, i.e., $-0.4386\,J$. To achieve this, we used a hybrid approach that splits the conventional Variational Quantum Eigensolver (VQE) into local (classical) and global (quantum) components for efficient hardware utilization. More importantly, we introduce a Hamiltonian engineering strategy that increases coupling on defect triangles to mimic loop-flip dynamics, allowing us to simplify the ansatz while retaining computational accuracy. Using a single-repetition, hardware-efficient ansatz, we entangle up to 103 qubits with high fidelity to determine the Hamiltonian's lowest eigenvalue. This work demonstrates the scalability of VQE for frustrated 2D systems and lays the foundation for future studies using deeper ansatz circuits and larger lattices on utility quantum processors.

DOI
10.48550/arxiv.2507.06361

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We present experimental quantum computation of the ground-state energy in a 103-site flat Kagome lattice under the antiferromagnetic Heisenberg model (KAFH), with IBM's Heron r1 and Heron r2 quantum processors. For spin-1/2 KAFH, our per-site ground-state energy estimate is −0.417 J-0.417\,J−0.417J, which, under open-boundary corrections, matches the energy in the thermodynamic limit, i.e., −0.4386 J-0.4386\,J−0.4386J. To achieve this, we used a hybrid approach that splits the conventional Variational Quantum Eigensolver (VQE) into local (classical) and global (quantum) components for efficient hardware utilization. More importantly, we introduce a Hamiltonian engineering strategy that increases coupling on defect triangles to mimic loop-flip dynamics, allowing us to simplify the ansatz while retaining computational accuracy. Using a single-repetition, hardware-efficient ansatz, we entangle up to 103 qubits with high fidelity to determine the Hamiltonian's lowest eigenvalue. This work demonstrates the scalability of VQE for frustrated 2D systems and lays the foundation for future studies using deeper ansatz circuits and larger lattices on utility quantum processors.
Finding and probing the ground states of spin lattices, such as the antiferromagnetic Heisenberg model on the kagome lattice (KAFH), is a very challenging problem on classical computers and only possible for relatively small systems. We propose using the variational quantum eigensolver (VQE) to find the ground state of the KAFH on a quantum computer. We find efficient ansatz circuits and show how physically interesting observables can be measured efficiently. To investigate the expressiveness and scaling of our ansatz circuits we used classical, exact simulations of VQE for the KAFH for different lattices ranging from 8 to 24 qubits. We find that the fidelity with the ground state approaches one exponentially in the circuit depth for all lattices considered, except for a 24-qubit lattice with an almost degenerate ground state. We conclude that VQE circuits that are able to represent the ground state of the KAFH on lattices inaccessible to exact diagonalization techniques may be achievable on near-term quantum hardware. However, for large systems, circuits with many variational parameters are needed to achieve high fidelity with the ground state.
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Establishing the nature of the ground state of the Heisenberg antiferromagnet (HAFM) on the kagome lattice is well-known to be a prohibitively difficult problem for classical computers. Here, we give a detailed proposal for a variational quantum eigensolver (VQE) intending to solve this physical problem on a quantum computer. At the same time, this VQE constitutes an explicit experimental proposal for showing a useful quantum advantage on noisy intermediate-scale quantum devices because of its natural hardware compatibility. We classically emulate noiseless and noisy quantum computers with either 2D-grid or all-to-all connectivity and simulate patches of the kagome HAFM of up to 20 sites. In the noiseless case, the ground-state energy, as found by the VQE, approaches the true ground-state energy exponentially as a function of the circuit depth. Furthermore, VQEs for the HAFM on any graph can inherently perform their quantum computations in a decoherence-free subspace that protects against collective longitudinal and collective transversal noise, adding to the noise resilience of these algorithms. Nevertheless, the extent of the effects of other noise types suggests the need for error mitigation and performance targets alternative to high-fidelity ground-state preparation, even for essentially hardware-native VQEs.
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 J1J_1J1​--J2J_2J2​ 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=2Δ=2Δ=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%0.002\%0.002% on the 12-site Kagome lattice, surpassing the best prior VQE result of 0.01%0.01\%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%19\%19%--36%36\%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.
In this work we investigate the ground state properties of a candidate quantum spin liquid using a superconducting Noisy Intermediate-Scale Quantum (NISQ) device. Specifically, we study the antiferromagnetic Heisenberg model on a Kagome lattice, a geometrically frustrated structure that gives rise to a highly degenerate energy spectrum. To successfully simulate this system, we employ a qubit reduction strategy leveraging the Contextual Subspace methodology, significantly reducing the problem size prior to execution on the quantum device. We improve the quality of these subspaces by using the wavefunctions obtained from low bond dimension Density Matrix Renormalization Group (DMRG) calculations to bias the subspace stabilizers through a symplectic approximate symmetry generator extraction algorithm. Reducing the Hamiltonian size allows us to implement tiled circuit ensembles and deploy the Variational Quantum Eigensolver (VQE) to estimate the ground state energy. We adopt a hybrid quantum error mitigation strategy combining Readout Error Mitigation (REM), Symmetry Verification (SV) and Zero Noise Extrapolation (ZNE). This approach yields high-accuracy energy estimates, achieving error rates on the order of 0.01% and thus demonstrating the potential of near-term quantum devices for probing frustrated quantum materials.
This work describes a method to prepare the quantum state of the Heisenberg spin-1/2 Hamiltonian for the Kagome Lattice in an IBM 16 qubit quantum computer with a fidelity below 1% of the ground state computed via a classical Eigen-solver. Furthermore, this solution has a very high noise tolerance (or overall success rate above 98%). With industrious care taken to deal with the persistent noise inherent to current quantum computers; we show that our solution, when run, multiple times achieves a very high probability of success and high fidelity. We take this work a step further by including efficient scalability or the ability to run on any qubit size quantum computer. The platform used in this experiment is IBM's 16 qubit Gudalupe processor using the Variational Quantum Eigensolver (VQE).