Etienne Granet

Simulating nuclear magnetic resonance (NMR) spectra is a promising application of quantum simulation. Using Quantinuum's System Model H2, a trapped-ion quantum computer, we demonstrate an end-to-end, large-scale digital NMR simulation of a classically challenging benchmark molecule, 1,2-di-tert-butyl-diphosphane. We implement a hardware-efficient reduction of the nuclear-spin Hamiltonian, enabling Trotterized real-time evolution of an effective 21-spin model with tailored error suppression to reduce the effects of device noise. The reconstructed liquid-state proton NMR spectrum agrees with classical reference calculations and reproduces key spectroscopic features that previous quantum hardware demonstrations did not capture. Given the widespread use of NMR in chemical analysis and industrial research, these results advance digital quantum simulation of NMR spectra towards practical quantum utility.

Dynamical structure factors (DSF) measured with neutron-scattering experiments provide key insights into the structure of materials. Their computation requires both the preparation of an equilibrium state and the implementation of Hamiltonian dynamics. We demonstrate the feasibility of computing DSF on the Quantinuum Reimei trapped-ion quantum computer, comparing the DSF of 1D Heisenberg model on $20$ sites, and that of the copper sulfate crystal. To that end, we introduce a pumping approach for computing the DSF $S(q,ω)$ on quantum computers that enables targeting specific arbitrary values of frequencies $ω$. This method time-evolves the initial state using a time-dependent Hamiltonian perturbed by a source term oscillating at the target frequency $ω$. When targeting only a few frequency values, this approach provides a significant reduction in shot overhead compared to previous methods.

Spectral functions measured with angle-resolved photoemission spectroscopy (ARPES) provide key insight to elucidate the band structure of materials. Comparison with theory requires computing dynamical one-point functions in some equilibrium state, which can be classically challenging. Their measurement on quantum computers poses multiple problems and comes with a large sampling overhead when standard techniques are used. We introduce an efficient way of measuring spectral functions on a quantum computer by directly modeling the interaction of the system with the environment involved in ARPES experiments. We develop quantum circuits whose local expectation values are proportional to the spectral function $A(k,ω)$ for all momentum $k$ and a specific chosen frequency $ω$. Although coming with a qubit and two-qubit gate overhead, our approach requires $O(N)$ times less sampling than previous approaches, translating into a factor $O(N)$ faster in runtime, and is particularly adapted to ion-trap quantum computers. The algorithm requires to implement a fermionic Fourier transform (FFT). We write out an efficient gate decomposition for generic radix-$n$ FFT and benchmark it on hardware for radix-$3$ on $27$ qubits. We finally demonstrate our algorithm on a Quantinuum System Model H2 ion-trap system, computing the spectral function on a one-dimensional system of $27$ sites, using $54$ qubits.

Estimating molecular ground-state energies is a central application of quantum computing, requiring both the preparation of accurate quantum states and efficient energy readout. Understanding the effect of hardware noise on these experiments is crucial to distinguish errors that have low impact, errors that can be mitigated, and errors that must be reduced at the hardware level. We ran a state preparation and energy measurement protocol on an ion-trap quantum computer, without any non-scalable off-loading of computational tasks to classical computers, and show that leakage errors are the main obstacle to chemical accuracy. More specifically, we apply adiabatic state preparation to prepare the ground state of a six-qubit encoding of the H3+ molecule and extract its energy using a noise-resilient variant of iterative quantum phase estimation. Our results improve upon the classical Hartree-Fock energy. Analyzing the effect of hardware noise on the result, we find that while coherent and incoherent noise have little influence, the hardware results are mainly impacted by leakage errors. Absent leakage errors, noisy numerical simulations show that with our experimental settings we would have achieved close to chemical accuracy, even shot noise included. These insights highlight the importance of targeting leakage suppression in future algorithm and hardware development.

The Fermi-Hubbard model is the starting point for the simulation of many strongly correlated materials, including high-temperature superconductors, whose modelling is a key motivation for the construction of quantum simulation and computing devices. However, the detection of superconducting pairing correlations has so far remained out of reach, both because of their off-diagonal character - which makes them inaccessible to local density measurements - and because of the difficulty of preparing superconducting states. Here, we report measurement of significant pairing correlations in three different regimes of Fermi-Hubbard models simulated on Quantinuum's Helios trapped-ion quantum computer. Specifically, we measure non-equilibrium pairing induced by an electromagnetic field in the half-filled square lattice model, d-wave pairing in an approximate ground state of the checkerboard Hubbard model at $1/6$-doping, and s-wave pairing in a bilayer model relevant to nickelate superconductors. These results show that a quantum computer can reliably create and probe physically relevant states with superconducting pairing correlations, opening a path to the exploration of superconductivity with quantum computers.

We consider the problem of preparing thermal equilibrium states at finite temperature on quantum computers. Assuming thermalization, we show that states that are locally at thermal equilibrium can be prepared by evolving adiabatically an initial thermal Gibbs state of a simple Hamiltonian with an interpolating time-dependent Hamiltonian, identically to adiabatic ground state preparation. We argue that the entropy density of local density matrices is conserved during the adiabatic evolution in the thermodynamic limit, so that both the entropy and energy of the final state can be computed, and thus the final temperature too. We show that in the presence of hardware noise, the entropy created by the noisy evolution can be precisely benchmarked with mirror circuits. We give numerical evidence that the resulting thermal state preparation protocol is noise-resilient for depolarizing noise, in the sense that the energy-temperature curve measured on a noisy quantum computer is remarkably insensitive to the amplitude of depolarizing noise in the state preparation. We finally propose a protocol to estimate the lack of adiabaticity in a given actual Trotter implementation of the dynamics. We test our protocol on Quantinuum's H1-1 ion-trap device. We measure that a circuit with $640$ two-qubit gates implemented on hardware generates an entropy per site of $0.166 \pm 0.0045$, giving a benchmark metric for this state preparation. We report the preparation of a thermal state with temperature $2.56 \pm 0.26$ of the Ising model in size $5\times 4$.

The Sachdev-Ye-Kitaev (SYK) model describes a strongly correlated quantum system that shows a strong signature of quantum chaos. Due to its chaotic nature, the simulation of real-time dynamics becomes quickly intractable by means of classical numerics, and thus, quantum simulation is deemed to be an attractive alternative. Nevertheless, quantum simulations of the SYK model on noisy quantum processors are severely limited by the complexity of its Hamiltonian. In this work, we simulate the real-time dynamics of a sparsified version of the SYK model with 24 Majorana fermions on a trapped-ion quantum processor. We adopt a randomized quantum algorithm, TETRIS, and develop an error mitigation technique tailored to the algorithm. Leveraging the hardware's high-fidelity quantum operations and all-to-all connectivity of the qubits, we successfully calculate the Loschmidt amplitude for sufficiently long times so that its decay is observed. Based on the experimental and further numerical results, we assess the future possibility of larger-scale simulations of the SYK model by estimating the required quantum resources. Moreover, we present a scalable mirror-circuit benchmark based on the randomized SYK Hamiltonian and the TETRIS algorithm, which we argue provides a better estimate of the decay of fidelity for local observables than standard mirror-circuits.

Digital quantum matter -- realized when discrete quantum gates approximate continuous time evolution -- is susceptible to heating into chaotic, structureless states. If digitization errors are adequately suppressed, a long-lived transient regime of approximately energy-conserving dynamics can be observed on gate-based quantum computers. Conservation of energy, in turn, enables the exploration of a wide variety of complex behaviors observed in equilibrium systems, ranging from the nontrivial microscopic origins of thermalization itself to the stabilization of effective models hosting exotic emergent properties. Here, we use Quantinuum's system model H2 quantum computer to simulate digitized dynamics of the quantum Ising model, suppressing digitization errors well enough to observe thermalization on timescales that severely challenge classical simulation methods. Relaxation of an inhomogeneous state reveals an emergent hydrodynamics due to approximate energy conservation, and we compute the associated diffusion constant. By reprogramming our simulations to take place on a triangular lattice with periodic boundary conditions, we observe thermalization consistent with emergent gauge and topological constraints resulting from lattice frustration. Our results were enabled by continued advances in two-qubit gate quality (native partial entangler fidelities of $99.94(1)\%$), and establish digital quantum computers as powerful tools for studying (effectively) continuous-time dynamics.

The utility of solving the Fermi-Hubbard model has been estimated in the billions of dollars. Digital quantum computers can in principle address this task, but have so far been limited to quasi one-dimensional models. This is because of exponential overheads caused by the interplay of noise and the non-locality of the mapping between fermions and qubits. Here, we show experimentally that a recently developed local encoding can overcome this problem. We develop a new compilation scheme, called "corner hopping", that reduces the cost of simulating fermionic hopping by 42% which allows us to conduct the largest digital quantum simulations of a fermionic model to date, using a trapped ion quantum computer to prepare adiabatically the ground state of a 6 x 6 spinless Fermi-Hubbard model encoded in 48 physical qubits. We also develop two new error mitigation schemes for systems with conserved quantities, one based on local postselection and one on extrapolation of local observables. Our results suggest that Fermi-Hubbard models beyond classical simulability can be addressed by digital quantum computers without large increases in gate fidelity.

It is generally considered that the signal output by a quantum circuit is attenuated exponentially fast in the number of gates. This letter explores how algorithms using mid-circuit measurements and classical conditioning as computational tools (and not as error mitigation or correction subroutines) can be naturally resilient to complete decoherence, and maintain quantum states with useful properties even for infinitely deep noisy circuits. Specifically, we introduce a quantum channel built out of mid-circuit measurements and feed-forward, that can be used to compute dynamical correlations at infinite temperature and canonical ensemble expectation values for any Hamiltonian. The unusual property of this algorithm is that in the presence of a depolarizing channel it still displays a meaningful, non-zero signal in the large depth limit. We showcase the noise resilience of this quantum channel on Quantinuum's H1-1 ion-trap quantum computer.