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arXiv:2605.30261

Qubit-efficient variational algorithm for nuclear structure

Chandan Sarma, Paul Stevenson

nucl-thquant-phSubmitted May 28, 2026• Announced May 29, 2026• 0 citations
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Abstract

In this work, we compare three qubit-mapping strategies to study the structure of the nuclear ground state within the shell model description employing the Variational Quantum Eigensolver (VQE) approach. Although the initial point for different mappings is a Hamiltonian matrix in many-body particle basis or Slater determinant (SD) basis, the structure of the trial wavefunction and resource counts are different for each mapping. These three mappings are tested for a mid $p$-shell nucleus $^{10}$B and compared the quantum resources required to find the ground state for each mapping. Further, we extend the qubit-efficient mapping to study the ground state of one more mid $p$-shell nucleus $^{12}$C. We run circuits up to 26-qubits representing their ground states on a noisy simulator (IBM's FakeFez backend) and quantum hardware ($ibm\_fez$). The best post-error mitigated results from the hardware for $^{10}$B ground state is obtained following SD to qubit mapping with a percent error of 0.21 \%. The percent errors for the same state following cSD and pnSD mapping are 3.37 and 8.88 \%, respectively. On the other hand, following the cSD mapping, the post-error mitigated ground state energy of $^{12}$C is 6.82 \% away from the exact result. We further evaluate the fidelity of the VQE wavefunctions obtained from hardware with respect to the shell model wavefunctions for the cSD mapping. This cSD mapping can be useful for scaling the VQE algorithm for complex nuclei across different mass regions in terms of qubit efficiency.

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In this work, we compare three qubit-mapping strategies to study the structure of the nuclear ground state within the shell model description employing the Variational Quantum Eigensolver (VQE) approach. Although the initial point for different mappings is a Hamiltonian matrix in many-body particle basis or Slater determinant (SD) basis, the structure of the trial wavefunction and resource counts are different for each mapping. These three mappings are tested for a mid ppp-shell nucleus 10^{10}10B and compared the quantum resources required to find the ground state for each mapping. Further, we extend the qubit-efficient mapping to study the ground state of one more mid ppp-shell nucleus 12^{12}12C. We run circuits up to 26-qubits representing their ground states on a noisy simulator (IBM's FakeFez backend) and quantum hardware (ibm_fezibm\_fezibm_fez). The best post-error mitigated results from the hardware for 10^{10}10B ground state is obtained following SD to qubit mapping with a percent error of 0.21 %. The percent errors for the same state following cSD and pnSD mapping are 3.37 and 8.88 %, respectively. On the other hand, following the cSD mapping, the post-error mitigated ground state energy of 12^{12}12C is 6.82 % away from the exact result. We further evaluate the fidelity of the VQE wavefunctions obtained from hardware with respect to the shell model wavefunctions for the cSD mapping. This cSD mapping can be useful for scaling the VQE algorithm for complex nuclei across different mass regions in terms of qubit efficiency.
Abstract In this work, we introduce a new qubit mapping strategy for the Variational Quantum Eigensolver (VQE) applied to nuclear shell model calculations, where each Slater Determinant (SD) is mapped to a qubit, rather than assigning qubits to individual single-particle states. While this approach may increase the total number of qubits required in some cases, it enables the construction of simpler quantum circuits that are more compatible with current noisy intermediate-scale quantum (NISQ) devices. We apply this method to seven nuclei: Four lithium isotopes 6−9{}^{6-9}6−9 Li from the p -shell, 18{}^{18}18 F from the sd -shell, and two heavier nuclei ( 210{}^{210}210 Po, and 210{}^{210}210 Pb). We run circuits representing their ground states on a noisy simulator (IBM’s FakeFez backend) and quantum hardware ( ibm_pittsburghibm\_pittsburghibm_pittsburgh ). For heavier nuclei, we demonstrate the feasibility of simulating 210{}^{210}210 Po and 210{}^{210}210 Pb as 22- and 29-qubit systems, respectively. Additionally, we employ Zero-Noise Extrapolation (ZNE) via two-qubit gate folding to mitigate errors in both simulated and hardware-executed results. Post-mitigation, the best results show less than 4 % deviation from shell model binding energy predictions across all nuclei studied. This SD-based qubit mapping proves particularly effective for lighter nuclei and two-nucleon systems, offering a promising route for near-term quantum simulations in nuclear physics.
Abstract In this work, we introduce a new qubit mapping strategy for the Variational Quantum Eigensolver (VQE) applied to nuclear shell model calculations, where each Slater determinant (SD) is mapped to a qubit, rather than assigning qubits to individual single-particle states. While this approach may increase the total number of qubits required in some cases, it enables the construction of simpler quantum circuits that are more compatible with current noisy intermediate-scale quantum (NISQ) devices. We apply this method to seven nuclei: Four lithium isotopes 6−9^{6-9}6−9Li from the \textit{p}-shell, 18^{18}18F from the \textit{sd}-shell, and two heavier nuclei (210^{210}210Po, and 210^{210}210Pb). We run circuits representing their ground states on a noisy simulator (IBM's \textit{FakeFez} backend) and quantum hardware (ibm_pittsburghibm\_pittsburghibm_pittsburgh). For heavier nuclei, we demonstrate the feasibility of simulating 210^{210}210Po and 210^{210}210Pb as 22- and 29-qubit systems, respectively. Additionally, we employ Zero-Noise Extrapolation (ZNE) via two-qubit gate folding to mitigate errors in both simulated and hardware-executed results. Post-mitigation, the best results show less than 4 \% deviation from shell model predictions across all nuclei studied. This SD-based qubit mapping proves particularly effective for lighter nuclei and two-nucleon systems, offering a promising route for near-term quantum simulations in nuclear physics. PACS numbers: 21.60.Cs, 21.30.Fe, 21.10.Dr, 27.20.+n
The nuclear shell model is one of the prime many-body methods to study the structure of atomic nuclei, but it is hampered by an exponential scaling on the basis size as the number of particles increases. We present a shell-model quantum circuit design strategy to find nuclear ground states by exploiting an adaptive variational quantum eigensolver algorithm. Our circuit implementation is in excellent agreement with classical shell-model simulations for a dozen of light and medium-mass nuclei, including neon and calcium isotopes. We quantify the circuit depth, width and number of gates to encode realistic shell-model wavefunctions. Our strategy also addresses explicitly energy measurements and the required number of circuits to perform them. Our simulated circuits approach the benchmark results exponentially with a polynomial scaling in quantum resources for each nucleus. This work paves the way for quantum computing shell-model studies across the nuclear chart and our quantum resource quantification may be used in configuration-interaction calculations of other fermionic systems.
Some of the computational limitations in solving the nuclear many-body problem could be overcome by utilizing quantum computers. The nuclear shell-model calculations providing deeper insights into the properties of atomic nuclei, is one such case with high demand for resources as the size of the Hilbert space grows exponentially with the number of particles involved. Quantum algorithms are being developed to overcome these challenges and advance such calculations. To develop quantum circuits for the nuclear shell-model, leveraging the capabilities of noisy intermediate-scale quantum (NISQ) devices. We aim to minimize resource requirements (specifically in terms of qubits and gates) and strive to reduce the impact of noise by employing relevant mitigation techniques. We achieve noise resilience by designing an optimized ansatz for the variational quantum eigensolver (VQE) based on Givens rotations and incorporating qubit-ADAPT-VQE in combination with variational quantum deflation (VQD) to compute ground and excited states incorporating the zero-noise extrapolation mitigation technique. Furthermore, the qubit requirements are significantly reduced by mapping the basis states to qubits using Gray code encoding and generalizing transformations of fermionic operators to efficiently represent manybody states. By employing the noise-resilient protocols, we achieve the ground and excited state energy levels of 38Ar and 6Li with better accuracy. These energy levels are presented for noiseless simulations, noisy conditions, and after applying noise mitigation techniques. Results are compared for Jordan Wigner and Gray code encoding using VQE, qubit-ADAPT-VQE, and VQD. Our work highlights the potential of noise-resilient protocols to leverage the full potential of NISQ devices in scaling the nuclear shell model calculations.
Quantum computing is one of the most promising technologies of the near future, and the simulation of quantum many-body systems is a natural application. In this work, we present classical simulations of the ground states of light atomic nuclei within the p shell, from He 6 to B 10 , calculated within the nuclear shell model. We compare the performance of two leading variational quantum eigensolver algorithms: the unitary coupled cluster (UCC) and the adaptive derivative-assembled pseudo-Trotter (ADAPT) methods, introducing a new metric to quantify the use of quantum resources in each simulation. We find that Slater determinants are the most useful reference states for both approaches. Our analysis suggests that ADAPT is more efficient for nuclei close to magic numbers, while UCC tends to require fewer resources toward the mid shell. This work lays the groundwork for robust benchmarking of quantum algorithms in nuclear structure studies.
We use the Lipkin-Meshkov-Glick (LMG) model and the valence-space nuclear shell model to examine the likely performance of variational quantum eigensolvers in nuclear-structure theory. The LMG model exhibits both a phase transition and spontaneous symmetry breaking at the mean-field level in one of the phases, features that characterize collective dynamics in medium-mass and heavy nuclei. We show that with appropriate modifications, the ADAPT-VQE algorithm, a particularly flexible and accurate variational approach, is not troubled by these complications. We treat up to 12 particles and show that the number of quantum operations needed to approach the ground-state energy scales linearly with the number of qubits. We find similar scaling when the algorithm is applied to the nuclear shell model with realistic interactions in the sdsdsd and pfpfpf shells. Although most of these simulations contain no noise, we use a noise model from real IBM hardware to show that for the LMG model with four particles, weak noise has no effect on the efficiency of the algorithm.