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At least 523 records · Page 29

Rodeo Algorithm for Quantum Computing

We present a stochastic quantum computing algorithm that can prepare any eigenvector of a quantum Hamiltonian within a selected energy interval $\ [E-\epsilon, E+\epsilon]$. In order to reduce the spectral weight of all other eigenvectors by a suppression factor δ, the required computational effort scales as $\ O[|\log \delta|/(p \epsilon)]$, where p s the squared overlap of the initial state with the target eigenvector. The method, which we call the rodeo algorithm, uses auxiliary qubits to control the time evolution of the Hamiltonian minus some tunable parameter E . In this manner, we converge to the target eigenvector with exponential accuracy in the number of measurements. In addition to preparing eigenvectors, the method can also compute the full spectrum of the Hamiltonian. We illustrate the performance with several examples. For energy eigenvalue determination with error $\epsilon$, the computational scaling is $\ O[(\log \epsilon)^2/(p \epsilon)]$. For eigenstate preparation, the computational scaling is $\ O(\log \Delta/p)$, where $\Delta$ is the magnitude of the orthogonal component of the residual vector. The speed for eigenstate preparation is exponentially faster than that for phase estimation or adiabatic evolution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Floating Block Method for Quantum Monte Carlo Simulations

Quantum Monte Carlo simulations are powerful and versatile tools for the quantum many-body problem. In addition to the usual calculations of energies and eigenstate observables, quantum Monte Carlo simulations can in principle be used to build fast and accurate many-body emulators using eigenvector continuation or design time-dependent Hamiltonians for adiabatic quantum computing. Furthermore, these new applications require something that is missing from the published literature, an efficient quantum Monte Carlo scheme for computing the inner product of ground state eigenvectors corresponding to different Hamiltonians. In this work, we introduce an algorithm called the floating block method, which solves the problem by performing Euclidean time evolution with two different Hamiltonians and interleaving the corresponding time blocks. We use the floating block method and nuclear lattice simulations to build eigenvector continuation emulators for energies of 4 He, 8 Be, 12 C, and 16 O nuclei over a range of local and nonlocal interaction couplings. From the emulator data, we identify the quantum phase transition line from a Bose gas of alpha particles to a nuclear liquid.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Floquet Insulators and Lattice Fermions

Floquet insulators are periodically driven quantum systems that can host novel topological phases as a function of the drive parameters. These new phases exhibit features reminiscent of fermion doubling in discrete-time lattice fermion theories. We make this suggestion concrete by mapping the spectrum of a noninteracting (1+1)D Floquet insulator for certain drive parameters onto that of a discrete-time lattice fermion theory with a time-independent Hamiltonian. The resulting Hamiltonian is distinct from the Floquet Hamiltonian that generates stroboscopic dynamics. Finally, it can take the form of a discrete-time Su-Schrieffer-Heeger model with half the number of spatial sites of the original model, or of a (1+1)D Wilson-Dirac theory with one quarter of the spatial sites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Composite Qdrift-product formulas for quantum and classical simulations in real and imaginary time

Recent study has shown that it can be advantageous to implement a composite channel that partitions the Hamiltonian H for a given simulation problem into subsets A and B such that H = A + B , where the terms in A are simulated with a Trotter-Suzuki channel and the B terms are randomly sampled via the Qdrift algorithm. Here we extend Qdrift and composite product formulas to imaginary time, formulating candidate classical algorithms for quantum Monte Carlo calculations. We upper bound the induced Schatten- 1 → 1 norm on both imaginary-time Qdrift and composite channels. Another recent result demonstrated that simulations of lattice Hamiltonians containing geometrically local interactions can be improved using a Lieb-Robinson argument to decompose H into subsets that contain only terms supported on that subset of the lattice. Here, we provide a quantum algorithm by unifying this result with the composite approach into “local composite channels” and we upper bound the diamond distance. We provide exact numerical simulations of algorithmic cost by counting the number of gates of the form e − i H j t and e − H j β to meet a certain error tolerance ε . In doing so, we optimize the partitioning into sets A and B using gradient boosted tree models from machine learning. These numerical studies are important given that product formulas have been historically known to outperform analytic upper bounds. We show constant factor advantages for a variety of interesting Hamiltonians, the maximum of which is a ≈ 20 -fold speedup that occurs in the simulation of Jellium. Published by the American Physical Society 2024

Pocrnic, Matthew (ORCID:0000000203089376)↗

Feedback-based quantum algorithms for ground state preparation

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one class of ground state algorithms that has received significant attention in recent years. These algorithms utilize a hybrid quantum-classical computing framework to prepare ground states on quantum computers. However, this requires solving a classical optimization problem that can become prohibitively expensive in high dimensions. Here, we develop formulations of feedback-based quantum algorithms for ground state preparation that can be used to address this challenge for two broad classes of Hamiltonians: Fermi-Hubbard Hamiltonians, and molecular Hamiltonians represented in second quantization. Feedback-based quantum algorithms are optimization-free; in place of classical optimization, quantum circuit parameters are set according to a deterministic feedback law derived from quantum Lyapunov control principles. This feedback law guarantees a monotonic improvement in solution quality with respect to the depth of the quantum circuit. A variety of numerical illustrations are provided that analyze the convergence and robustness of feedback-based quantum algorithms for these problem classes. Published by the American Physical Society 2024

Larsen, James B. (ORCID:000000020777440X)↗

Correlation effects in magic-angle twisted bilayer graphene: An auxiliary-field quantum Monte Carlo study

Magic-angle twisted bilayer graphene (MATBG) presents a fascinating platform for investigating the effects of electron interactions in topological flat bands. The Bistritzer-MacDonald (BM) model provides a simplified quantitative description of the flat bands. Introducing long-range Coulomb interactions leads to an interacting BM (IBM) Hamiltonian, a momentum-space continuum description which offers a very natural starting point for many-body studies of MATBG. Accurate and reliable many-body computations in the IBM model are challenging, however, and have been limited mostly to special fillings or smaller lattice sizes. We employ a state-of-the-art auxiliary-field quantum Monte Carlo (AFQMC) method to study the IBM model, which constrains the sign problem to enable accurate treatment of large system sizes. We determine ground-state properties and quantify errors compared to mean-field theory calculations. Our calculations identify correlated metal states and their competition with the insulating Kramers intervalley-coherent state at both half-filling and charge neutrality. Additionally, we investigate one- and three-quarter fillings, and examine the effect of many-body corrections beyond single Slater determinant solutions. We discuss the effect that details of the IBM Hamiltonian have on the results, including different forms of double-counting corrections, and the need to establish and precisely specify many-body Hamiltonians to allow more direct and quantitative comparisons with experiments in MATBG. Published by the American Physical Society 2025

Xiao, Zhi-Yu (ORCID:0000000219531579)↗

Quantifying Quantum Chaos through Microcanonical Distributions of Entanglement

A characteristic feature of “quantum chaotic” systems is that their eigenspectra and eigenstates display universal statistical properties described by random matrix theory (RMT). However, eigenstates of local systems also encode structure beyond RMT. To capture this feature, we introduce a framework that allows us to compare the properties of eigenstates in local systems with those of pure random states. In particular, our framework defines a notion of distance between quantum state ensembles that utilizes the Kullback-Leibler divergence to compare the microcanonical distribution of entanglement entropy (EE) of eigenstates with a reference RMT distribution generated by pure random states (with appropriate constraints). This notion gives rise to a quantitative metric for quantum chaos that not only accounts for averages of the distributions but also higher moments. The differences in moments are compared on a highly resolved scale set by the standard deviation of the RMT distribution, which is exponentially small in system size. As a result, the metric can distinguish between chaotic and integrable behaviors and, in addition, quantify and compare the of chaos (in terms of proximity to RMT behavior) between two systems that are assumed to be chaotic. We implement our framework in local, minimally structured, Floquet random circuits, as well as a canonical family of many-body Hamiltonians, the mixed-field Ising model (MFIM). Importantly, for Hamiltonian systems, we find that the reference random distribution must be appropriately constrained to incorporate the effect of energy conservation in order to describe the ensemble properties of midspectrum eigenstates. The metric captures deviations from RMT across all models and parameters, including those that have been previously identified as strongly chaotic, and for which other diagnostics of chaos such as level spacing statistics look strongly thermal. In Floquet circuits, the dominant source of deviations is the second moment of the distribution, and this persists for all system sizes. For the MFIM, we find significant variation of the KL divergence in parameter space. Notably, we find a small region where deviations from RMT are minimized, suggesting that “maximally chaotic” Hamiltonians may exist in fine-tuned pockets of parameter space. Published by the American Physical Society 2024

Physics↗

Trotter Errors from Dynamical Structural Instabilities of Floquet Maps in Quantum Simulation

We study the behavior of errors in the quantum simulation of spin systems with long-range multibody interactions resulting from the Trotter-Suzuki decomposition of the time-evolution operator. We identify a regime where the Floquet operator underlying the Trotter decomposition undergoes sharp changes even for small variations in the simulation step size. This results in a time evolution operator that is very different from the dynamics generated by the targeted Hamiltonian, which leads to a proliferation of errors in the quantum simulation. These regions of sharp change in the Floquet operator, referred to as structural instability regions, appear typically at intermediate Trotter step sizes and in the weakly interacting regime, and are thus complementary to recently revealed quantum chaotic regimes of the Trotterized evolution [L. M. Sieberer et al. npj Quantum Inf. 5, 78 (2019); M. Heyl, P. Hauke, and P. Zoller, Sci. Adv. 5, eaau8342 (2019)]. We characterize these structural instability regimes in p-spin models, transverse-field Ising models with all-to-all p-body interactions, and analytically predict their occurrence based on unitary perturbation theory. We further show that the effective Hamiltonian associated with the Trotter decomposition of the unitary time-evolution operator, when the Trotter step size is chosen to be in the structural instability region, is very different from the target Hamiltonian, which explains the large errors that can occur in the simulation in the regions of instability. These results have implications for the reliability of near-term gate-based quantum simulators, and reveal an important interplay between errors and the physical properties of the system being simulated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Improving Schrödinger Equation Implementations with Gray Code for Adiabatic Quantum Computers

We reformulate the continuous-space Schrödinger equation in terms of spin Hamiltonians. For the kinetic energy operator, the critical concept facilitating the reduction in model complexity is the idea of position encoding. A binary encoding of position produces a spin-1/2 Heisenberg-like model and yields exponential improvement in space complexity when compared to classical computing. Encoding with a binary reflected Gray code (BRGC), and a Hamming-distance-2 Gray code (H2GC) reduces the model complexity down to the 𝑋⁢𝑍 and transverse Ising model, respectively. For 𝐴 qubits BRGC yields 2 𝐴 positions and is reduced to its 2-local form with O⁡(𝐴) ancillary qubits. H2GC yields 2 𝐴/2+1 positions with O⁡(𝐴 2 ) three-local penalty terms. We also identify the bijective mapping between diagonal unitaries and the Walsh series, producing the mapping of any real potential to a series of 𝑘 -local Ising models through the fast Walsh transform. Finally, in a finite volume, we provide some numerical evidence to support the claim that the total time needed for adiabatic evolution is protected by the infrared cutoff of the system. As a result, initial state preparation from a free-field wave function to an interacting system is expected to exhibit polynomial time complexity with volume and constant scaling with respect to lattice discretization for all encodings. For H2GC, if the evolution starts with the transverse Hamiltonian due to hardware restrictions, then penalties are dynamically introduced such that the low-lying spectrum reproduces the energy levels of the Laplacian. The adiabatic evolution of the penalty Hamiltonian is therefore sensitive to the ultraviolet scale. It is expected to exhibit polynomial time complexity with lattice discretization, or exponential time complexity with respect to the number of qubits given a fixed volume.

97 MATHEMATICS AND COMPUTING↗

Error-Detectable Bosonic Entangling Gates with a Noisy Ancilla

Bosonic quantum error correction has proven to be a successful approach for extending the coherence of quantum memories, but to execute deep quantum circuits, high-fidelity gates between encoded qubits are needed. To that end, we present a family of error-detectable two-qubit gates for a variety of bosonic encodings. From a new geometric framework based on a “Bloch sphere” of bosonic operators, we construct ZZ L ⁡(θ) and exponential-swap(θ) gates for the binomial, four-legged cat, dual-rail, and several other bosonic codes. The gate Hamiltonian is simple to engineer, requiring only a programmable beam splitter between two bosonic qubits and an ancilla dispersively coupled to one qubit. This Hamiltonian can be realized in circuit QED hardware with ancilla transmons and microwave cavities. The proposed theoretical framework was developed for circuit QED but is generalizable to any platform that can effectively generate this Hamiltonian. Crucially, one can also detect first-order errors in the ancilla and the bosonic qubits during the gates. We show that this allows one to reach error-detected gate fidelities at the 0.01% level with today’s hardware, limited only by second-order hardware errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Magnetic properties of metastable honeycomb KCoAsO 4

We present comprehensive neutron scattering data on polycrystalline samples of a new metastable honeycomb material KCoAsO 4 . Below 𝑇 𝑁 = 14 K, the system orders into a zigzag antiferromagnetic state, with spins ordered into alternating ferromagnetic chains similar to the isostructural sister compound KNiAsO 4 . In the case of KCoAsO 4 , we find the moments are robustly canted out of plane closer to the crystallographic 𝑐 axis. A combination of weak interlayer coupling, lattice strain, and inhomogeneities lead to the coexistence of two magnetic ordering wave vectors 𝑘 1 = (1.5 0 0) and 𝑘 2 = (0.5 0 0.5), where the two structures differ only in their layer stacking. Inelastic data show the presence of a spin orbital mode at 24 meV, supporting a pseudospin $\tilde{𝑆}$ = 1/2 Kramer's doublet ground state of the Co 2+ ions. We model the low energy excitations using both a conventional XXZ Hamiltonian and generalized Kitaev Heisenberg Hamiltonian within a linear spin wave limit. While either model can qualitatively reproduce the observed spectra, the lack of fine features and observation of disorder prevent a clear-cut determination of the low energy Hamiltonian. In the case of an XXZ-type model, a large easy-axis anisotropy is necessary to reproduce the gapped spectra and canting of the magnetic moments. For the generalized Kitaev model, despite the large canting of the moments away from the honeycomb layers, we find a noticeable if nondominant Kitaev term persists. In conclusion, the contrast of the magnetic properties of KCoAsO 4 to other cobalt honeycombs highlights the sensitivity of the low energy magnetic properties of Co 2+ to fine details of its crystalline environment.

Honeycomb lattice↗

Efficient truncations of SU( N c ) lattice gauge theory for quantum simulation

Quantum simulations of lattice gauge theories offer the potential to directly study the nonperturbative dynamics of quantum chromodynamics, but naive analyses suggest that they require large computational resources. Large 𝑁 𝑐 expansions are performed to order 1/𝑁 𝑐 to simplify the Hamiltonian of pure SU⁡(𝑁𝑐) lattice gauge theories. A reformulation of the electric basis is introduced with a truncation strategy based on the construction of local Krylov subspaces with plaquette operators. Numerical simulations show that these truncated Hamiltonians are consistent with traditional lattice calculations at relatively small couplings. It is shown that the computational resources required for quantum simulation of time evolution generated by these Hamiltonians is 17–19 orders of magnitude smaller than previous approaches, provided that the truncations in this work can reach lattice spacings in three-dimensional simulations comparable to the two-dimensional simulations performed.

Lattice QCD↗

Mapping Arbitrarily Sparse Two-body Interactions on One-dimensional Quantum Circuits

We consider an assignment problem arising in Fermionic-swap based mapping of the one-body and two-body interaction terms in simulating time evolution of a sparse second-quantized electronic structure Hamiltonian on a quantum computer. Relative efficiency of different swap networks depends on the relative costs of performing a swap layer and computing a Hamiltonian interaction term. Under the assumption that the interaction term cost dominates the computation, we develop an iterative algorithm that uses hypergraph optimal linear arrangement (HOLA) and partial distance-2 coloring to exploit arbitrary sparsity in the Hamiltonian for efficient computation using swap networks. Using a set of 122 problems from computational chemistry, we demonstrate performance improvements up to 100% relative to the state-of-the-art approaches for one-body terms and up to 86% utilization for two-body terms relative to a theoretical peak utilization. To the best of our knowledge, this is the first study to exploit arbitrary sparsity in orbital interactions for efficient computation on one-dimensional qubit connectivity layouts. The proposed algorithms form the basis for extension to map general k-body interactions that arise in other domains onto generalized qubit connectivity layouts.

quantum computing, Combinatorial Optimization, hyp↗

Light-front wavefunctions of mesons by design

Abstract We develop a mechanism to build the light-front wavefunctions (LFWFs) of meson bound states on a small-sized basis function representation. Unlike in a standard Hamiltonian formalism, the Hamiltonian in this method is implicit, and the information of the system is carried directly by the functional form and adjustable parameters of the LFWFs. In this work, we model the LFWFs for four charmonium states, $$\eta _c$$ η c , $$J/\psi $$ J / ψ , $$\psi '$$ ψ ′ , and $$\psi (3770)$$ ψ ( 3770 ) as superpositions of orthonormal basis functions. We choose the basis functions as eigenfunctions of an effective Hamiltonian, which has a longitudinal confining potential in addition to the transverse confining potential from light-front holographic QCD. We determine the basis function parameters and superposition coefficients by employing both guidance from the nonrelativistic description of the meson states and the experimental measurements of the meson decay widths. With the obtained wavefunctions, we study the features of those meson states, including charge radii and parton distribution functions. We use the $$J/\psi $$ J / ψ LFWF to calculate the meson production in diffractive deep inelastic scattering and ultra-peripheral heavy-ion collisions, and the $$\eta _c$$ η c LFWF to calculate its diphoton transition form factor. Both results show good agreement with experiments. The obtained LFWFs have simple-functional forms and can be readily used to predict additional experimental observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Constant-depth circuits for dynamic simulations of materials on quantum computers

Abstract Dynamic simulation of materials is a promising application for near-term quantum computers. Current algorithms for Hamiltonian simulation, however, produce circuits that grow in depth with increasing simulation time, limiting feasible simulations to short-time dynamics. Here, we present a method for generating circuits that are constant in depth with increasing simulation time for a specific subset of one-dimensional (1D) materials Hamiltonians, thereby enabling simulations out to arbitrarily long times. Furthermore, by removing the effective limit on the number of feasibly simulatable time-steps, the constant-depth circuits enable Trotter error to be made negligibly small by allowing simulations to be broken into arbitrarily many time-steps. For an N -spin system, the constant-depth circuit contains only $\mathcal {O}(N^{2})$ O ( N 2 ) CNOT gates. Such compact circuits enable us to successfully execute long-time dynamic simulation of ubiquitous models, such as the transverse field Ising and XY models, on current quantum hardware for systems of up to 5 qubits without the need for complex error mitigation techniques. Aside from enabling long-time dynamic simulations with minimal Trotter error for a specific subset of 1D Hamiltonians, our constant-depth circuits can advance materials simulations on quantum computers more broadly in a number of indirect ways.

Materials simulation↗

Coupled Cluster Downfolding Theory: towards universal many-body algorithms for dimensionality reduction of composite quantum systems in chemistry and materials science

Abstract The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of effective (or downfolded) Hamiltonians in small-dimensionality sub-space, usually identified with the so-called active space, of the entire Hilbert space. The resulting downfolded Hamiltonians integrate out the external (out-of-active-space) Fermionic degrees of freedom from the internal (in-the-active-space) parameters of the wave function, which can be determined as components of the eigenvectors of the downfolded Hamiltonians in the active space. This paper will discuss the extension of non-Hermitian (associated with standard CC formulations) and Hermitian (associated with the unitary CC approaches) downfolding formulations to composite quantum systems commonly encountered in materials science and chemistry. The non-Hermitian formulation can provide a platform for developing local CC approaches, while the Hermitian one can serve as an ideal foundation for developing various quantum computing applications based on the limited quantum resources. We also discuss the algorithm for extracting the semi-analytical form of the inter-electron interactions in the active spaces.

Bauman, Nicholas P.↗

Random matrix theory of the isospectral twirling

We present a systematic construction of probes into the dynamics of isospectral ensembles of Hamiltonians by the notion of Isospectral twirling, expanding the scopes and methods of ref. [1]. The relevant ensembles of Hamiltonians are those defined by salient spectral probability distributions. The Gaussian Unitary Ensembles (GUE) describes a class of quantum chaotic Hamiltonians, while spectra corresponding to the Poisson and Gaussian Diagonal Ensemble (GDE) describe non chaotic, integrable dynamics. We compute the Isospectral twirling of several classes of important quantities in the analysis of quantum many-body systems: Frame potentials, Loschmidt Echos, OTOCs, Entanglement, Tripartite mutual information, coherence, distance to equilibrium states, work in quantum batteries and extension to CP-maps. Moreover, we perform averages in these ensembles by random matrix theory and show how these quantities clearly separate chaotic quantum dynamics from non chaotic ones.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Constructing non-Abelian quantum spin liquids using combinatorial gauge symmetry

We construct Hamiltonians with only 1- and 2-body interactions that exhibit an exact non-Abelian gauge symmetry (specifically, combinatiorial gauge symmetry). Our spin Hamiltonian realizes the quantum double associated to the group of quaternions. It contains only ferromagnetic and anti-ferromagnetic ZZ Z Z interactions, plus longitudinal and transverse fields, and therefore is an explicit example of a spin Hamiltonian with no sign problem that realizes a non-Abelian topological phase. In addition to the spin model, we propose a superconducting quantum circuit version with the same symmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗