Designing quantum technologies with a quantum computer

TL;DR

This paper introduces a quantum-computer-aided framework for simulating solid-state spin systems, enabling efficient long-time dynamics analysis and device design under realistic hardware constraints.

Contribution

It develops a novel hybrid quantum algorithm combining multiple techniques to simulate spin systems, optimizing for NISQ hardware and demonstrating significant reductions in circuit complexity.

Findings

Simulated autocorrelation functions up to 100 ns.

Achieved 18-30% reduction in gate counts and circuit depth.

Benchmarking with nitrogen vacancy centers in diamond.

Abstract

Interacting spin systems in solids underpin a wide range of quantum technologies, from quantum sensors and single-photon sources to spin-defect-based quantum registers and processors. We develop a quantum-computer-aided framework for simulating such devices using a general electron spin resonance Hamiltonian incorporating zero-field splitting, the Zeeman effect, hyperfine interactions, dipole-dipole spin-spin terms, and electron-phonon decoherence. Within this model, we combine Gray-encoded qudit-to-qubit mappings, qubit-wise commuting aggregation, and a multi-reference selected quantum Krylov fast-forwarding (sQKFF) hybrid algorithm to access long-time dynamics while remaining compatible with NISQ and early fault-tolerant hardware constraints. Numerical simulations demonstrate the computation of autocorrelation functions up to $\sim100$ ns, together with microwave absorption spectra and the $\ell_1$-norm of coherence, achieving 18-30$\%$ reductions in gate counts and circuit depth for Trotterized time-evolution circuits compared to unoptimized implementations. Using the nitrogen vacancy center in diamond as a testbed, we benchmark the framework against classical simulations and identify the reference-state selection in sQKFF as the primary factor governing accuracy at fixed hardware cost. This methodology provides a flexible blueprint for using quantum computers to design, compare, and optimize solid-state spin-qubit technologies under experimentally realistic conditions.