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At least 307 records · Page 17

Efficient Measurement-Driven Eigenenergy Estimation with Classical Shadows

Quantum algorithms exploiting real-time evolution under a target Hamiltonian have demonstrated remarkable efficiency in extracting key spectral information. However, the broader potential of these methods, particularly beyond ground-state calculations, is underexplored. In this work, we introduce the framework of multiobservable dynamic mode decomposition (MODMD), which combines the observable dynamic mode decomposition (DMD), a measurement-driven eigensolver tailored for near-term implementation, with classical shadow tomography. MODMD leverages random scrambling in the classical shadow technique to construct, with exponentially reduced resource requirements, a signal subspace that encodes rich spectral information. Notably, we replace typical Hadamard-test circuits with a protocol designed to predict low-rank observables, thereby broadening the use of classical shadow tomography for predicting many low-rank observables. We establish theoretical guarantees on the spectral approximation from MODMD, taking into account distinct sources of error. In the ideal case, we prove that the spectral error scales as exp (−Δ⁢𝐸⁢𝑡 max ), where Δ⁢𝐸 is the Hamiltonian spectral gap and 𝑡 max is the maximal simulation time. This analysis provides a rigorous justification of the rapid convergence observed across simulations. To demonstrate the utility of our framework, we consider its application to fundamental tasks, such as determining the low-lying, i.e., ground or excited, energies of representative many-body systems. Our work paves the path for efficient designs of measurement-driven algorithms on near-term and early fault-tolerant quantum devices.

quantum algorithms & computation↗

SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions

We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon ( e e -ph) interactions, including non-linear e e -ph coupling and anharmonic lattice potentials. Our implementation uses hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Codebase release r0.3 for SmoQyDQMC.jl

We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon ( e e -ph) interactions, including non-linear e e -ph coupling and anharmonic lattice potentials. Our implementation uses hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

Cohen-Stead, Benjamin (ORCID:0000000279156280)↗

Scattering Processes from Quantum Simulation Algorithms for Scalar Field Theories

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve these improvements through two optimizations. First, we consider a finite volume approach for estimating the elements of the S-matrix. This approach is appropriate in general for 1+1D and for certain low-energy elastic collisions in higher dimensions. Second, we implement our approach using a series of different fault-tolerant simulation algorithms for Hamiltonians formulated both in the field occupation basis and field amplitude basis. Our algorithms are based on either second-order Trotterization or qubitization. The cost of Trotterization in occupation basis scales as O ( λ N 7 | Ω | 3 / ( M 5 / 2 ϵ 3 / 2 ) ) where λ is the coupling strength, N is the occupation cutoff, | Ω | is the volume of the spatial lattice, M is the mass of the particles and ϵ is the uncertainty in the energy calculation used for the S -matrix determination. Qubitization in the field basis scales as O ( | Ω | 2 ( k 2 Λ + k M 2 ) / ϵ ) , where k is the cutoff in the field and Λ is a scaled coupling constant. We find in both cases that the bounds suggest physically meaningful simulations can be performed using on the order of 4 × 10 6 physical qubits and 10 12 T -gates which corresponds to roughly one day on a superconducting quantum computer with surface code and a cycle time of 100 ns. This places the simulation of scalar field theory within striking distance of the gate counts for the best available chemistry simulation results.

Hardy, Andrew [Toronto U.] (ORCID:0000000235817382↗

Simulating scalar field theories on quantum computers with limited resources

Here we present a quantum algorithm for implementing φ 4 lattice scalar field theory on qubit computers. The field is represented in the discretized field amplitude basis. The number of qubits and elementary gates required by the implementation of the evolution operator is proportional to the lattice size. The algorithm allows efficient φ 4 state preparation for a large range of input parameters in both the normal and broken-symmetry phases. The states are prepared using a combination of variational and adiabatic evolution methods. First, the ground state of a local Hamiltonian, which includes the φ 4 self-interaction, is prepared using short variational circuits. Next, this state is evolved by switching on the coupling between the lattice sites adiabatically. The parameters defining the local Hamiltonian are adjustable and constitute the input of our algorithm. We present a method to optimize these parameters in order to reduce the adiabatic time required for state preparation. For preparing broken-symmetry states, the adiabatic evolution problems caused by crossing the phase transition critical line and by the degeneracy of the broken-symmetry ground state can be addressed using an auxiliary external field which gradually turns off during the adiabatic process. We show that the time dependence of the external field during the adiabatic evolution is important for addressing the broken-symmetry ground state degeneracy. The adiabatic time dependence on the inverse error tolerance can be reduced from quadratic to linear by using a field strength that decreases exponentially in time relative to one that decreases linearly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Field-induced quantum spin liquid in the Kitaev-Heisenberg model and its relation to α – RuCl 3

Recently considerable excitement has arisen due to the experimental observation of a field-induced spin liquid phase in the compound α– RuCl 3 . Yet, the nature of this putative spin liquid phase and the relevant microscopic model Hamiltonian remain still unclear. In this work, we address these questions by performing large-scale numerical simulations of a generalized Kitaev-Heisenberg model proposed to describe the physics of α– RuCl 3 . Although an intermediate phase does not appear for in-plane magnetic fields, our results strongly suggest that a stable intermediate spin liquid phase, sandwiched between a magnetically ordered phase at low fields and a high-field polarized phase, can be induced by out-of-plane magnetic fields. Moreover, we show that this field-induced spin liquid phase can be smoothly connected to a spin liquid possessing a spinon Fermi surface as proposed recently for the Kitaev model. The relevance of our findings to α– RuCl 3 is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Solving independent set problems with photonic quantum circuits

An independent set (IS) is a set of vertices in a graph such that no edge connects any two vertices. In adiabatic quantum computation [E. Farhi, et al ., Science 292, 472–475 (2001); A. Das, B. K. Chakrabarti, Rev. Mod. Phys. 80, 1061–1081 (2008)], a given graph G ( V , E ) can be naturally mapped onto a many-body Hamiltonian H IS G ( V , E ) , with edges E being the two-body interactions between adjacent vertices V . Thus, solving the IS problem is equivalent to finding all the computational basis ground states of H IS G ( V , E ) . Very recently, non-Abelian adiabatic mixing (NAAM) has been proposed to address this task, exploiting an emergent non-Abelian gauge symmetry of H IS G ( V , E ) [B. Wu, H. Yu, F. Wilczek, Phys. Rev. A 101, 012318 (2020)]. Here, we solve a representative IS problem G ( 8 , 7 ) by simulating the NAAM digitally using a linear optical quantum network, consisting of three C-Phase gates, four deterministic two-qubit gate arrays (DGA), and ten single rotation gates. The maximum IS has been successfully identified with sufficient Trotterization steps and a carefully chosen evolution path. Remarkably, we find IS with a total probability of 0.875(16), among which the nontrivial ones have a considerable weight of about 31.4%. Our experiment demonstrates the potential advantage of NAAM for solving IS-equivalent problems.

Science & Technology - Other Topics↗

Floquet Engineering of Interactions and Entanglement in Periodically Driven Rydberg Chains

Neutral atom arrays driven into Rydberg states constitute a promising approach for realizing programmable quantum systems. Enabled by strong interactions associated with Rydberg blockade, they allow for simulation of complex spin models and quantum dynamics. We introduce a new Floquet engineering technique for systems in the blockade regime that provides control over novel forms of interactions and entanglement dynamics in such systems. Our approach is based on time-dependent control of Rydberg laser detuning and leverages perturbations around periodic many-body trajectories as resources for operator spreading. These time-evolved operators are utilized as a basis for engineering interactions in the effective Hamiltonian describing the stroboscopic evolution. As an example, we show how our method can be used to engineer strong spin exchange, consistent with the blockade, in a one-dimensional chain, enabling the exploration of gapless Luttinger liquid phases. In addition, we demonstrate that combining gapless excitations with Rydberg blockade can lead to dynamic generation of large-scale multipartite entanglement. Experimental feasibility and possible generalizations are discussed.

Floquet systems↗

Towards a classification of bifurcations in Vlasov equations

Here, we propose a classification of bifurcations of Vlasov equations, based on the strength of the resonance between the unstable mode and the continuous spectrum on the imaginary axis. We then identify and characterize a new type of generic bifurcation where this resonance is weak, but the unstable mode couples with a stable mode and a Casimir invariant of the system to form a size-3 Jordan block. We derive a three-dimensional reduced noncanonical Hamiltonian system describing this bifurcation. Comparison of the reduced dynamics with direct numerical simulations on a test case gives excellent agreement. We finally discuss the relevance of this bifurcation to specific physical situations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Spin Decoherence in VOPc@graphene Nanoribbon Complexes

Carbon nanoribbons or nanographene qubit arrays can facilitate quantum-to-quantum transduction between light, charge, and spin, making them an excellent testbed for fundamental science in quantum coherent systems and for the construction of higher-level qubit circuits. Here, in this work, we study spin decoherence due to coupling with a surrounding nuclear spin bath of an electronic molecular spin of a vanadyl phthalocyanine (VOPc) molecule integrated onto an armchair-edged graphene nanoribbon (GNR). Density functional theory (DFT) is used to obtain ground-state atomic configurations. Decay of spin coherence in Hahn echo experiments is then simulated using the cluster correlation expansion method with a spin Hamiltonian involving hyperfine and electric field gradient tensors calculated from DFT. We find that the decoherence time T 2 is anisotropic with respect to magnetic field orientation and determined only by the hydrogen nuclear spins on both VOPc and GNR. Large electron spin echo envelope modulation (ESEEM) due to nitrogen and vanadium nuclear spins is present at specific field ranges and can be completely suppressed by tuning the magnetic field. The relation between these field ranges and the hyperfine interactions is analyzed. The effects of interactions with the nuclear quadrupole moments are also studied, validating the applicability and limitations of the spin Hamiltonian when they are disregarded.

Hamiltonians↗

Delocalization Transition of a Disordered Axion Insulator

The axion insulator is a higher-order topological insulator protected by inversion symmetry. We show that, under quenched disorder respecting inversion symmetry on average, the topology of the axion insulator stays robust, and an intermediate metallic phase in which states are delocalized is unavoidable at the transition from an axion insulator to a trivial insulator. We derive this conclusion from general arguments, from classical percolation theory, and from the numerical study of a 3D quantum network model simulating a disordered axion insulator through a layer construction. We find the localization length critical exponent near the delocalization transition to be ν = 1.42 ± 0.12. We further show that this delocalization transition is stable even to weak breaking of the average inversion symmetry, up to a critical strength. Finally, we also quantitatively map our quantum network model to an effective Hamiltonian and we find its low-energy k ∙ p expansion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum Thermodynamics of Nonequilibrium Processes in Lattice Gauge Theories

A key objective in nuclear and high-energy physics is to describe nonequilibrium dynamics of matter, e.g., in the early Universe and in particle colliders, starting from the standard model of particle physics. Classical computing methods, via the framework of lattice gauge theory, have experienced limited success in this mission. Quantum simulation of lattice gauge theories holds promise for overcoming computational limitations. Because of local constraints (Gauss’s laws), lattice gauge theories have an intricate Hilbert-space structure. This structure complicates the definition of thermodynamic properties of systems coupled to reservoirs during equilibrium and nonequilibrium processes. We show how to define thermodynamic quantities such as work and heat using strong-coupling thermodynamics, a framework that has recently burgeoned within the field of quantum thermodynamics. Our definitions suit instantaneous quenches, simple nonequilibrium processes undertaken in quantum simulators. To illustrate our framework, we compute the work and heat exchanged during a quench in a Z 2 lattice gauge theory coupled to matter in 1+1 dimensions. Here, the thermodynamic quantities, as functions of the quench parameter, evidence a phase transition. For general thermal states, we derive a simple relation between a quantum many-body system’s entanglement Hamiltonian, measurable with quantum-information-processing tools, and the Hamiltonian of mean force, used to define strong-coupling thermodynamic quantities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Practical Hamiltonian learning with unitary dynamics and Gibbs states

We study the problem of learning the parameters for the Hamiltonian of a quantum many-body system, given limited access to the system. In this work, we build upon recent approaches to Hamiltonian learning via derivative estimation. We propose a protocol that improves the scaling dependence of prior works, particularly with respect to parameters relating to the structure of the Hamiltonian (e.g., its locality k). Furthermore, by deriving exact bounds on the performance of our protocol, we are able to provide a precise numerical prescription for theoretically optimal settings of hyperparameters in our learning protocol, such as the maximum evolution time (when learning with unitary dynamics) or minimum temperature (when learning with Gibbs states). Thanks to these improvements, our protocol has practical scaling for large problems: we demonstrate this with a numerical simulation of our protocol on an 80-qubit system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sachdev-Ye-Kitaev model on a noisy quantum computer

Here we study the SYK model -- an important toy model for quantum gravity on IBM's superconducting qubit quantum computers. By using a graph-coloring algorithm to minimize the number of commuting clusters of terms in the qubitized Hamiltonian, we find the gate complexity of the time evolution using the first-order product formula for N Majorana fermions is $\mathscr{O}$(N 5 J 2 t 2 /ε) where J is the dimensionful coupling parameter, t is the evolution time, and ε is the desired precision. With this improved resource requirement, we perform the time evolution for N=6,8 with maximum two-qubit circuit depth of 343. We perform different error mitigation schemes on the noisy hardware results and find good agreement with the exact diagonalization results on classical computers and noiseless simulators. In particular, we compute return probability after time t and out-of-time order correlators (OTOC) which is a standard observable of quantifying the chaotic nature of quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum computing universal thermalization dynamics in a (2 + 1)D Lattice Gauge Theory

Simulating non-equilibrium phenomena in strongly-interacting quantum many-body systems, including thermalization, is a promising application of near-term and future quantum computation. By performing experiments on a digital quantum computer consisting of fully-connected optically-controlled trapped ions, we study the role of entanglement in the thermalization dynamics of a Z 2 lattice gauge theory in 2+1 spacetime dimensions. Using randomized-measurement protocols, we efficiently learn a classical approximation of non-equilibrium states that yields the gap-ratio distribution and the spectral form factor of the entanglement Hamiltonian. These observables exhibit universal early-time signals for quantum chaos, a prerequisite for thermalization. Our work, therefore, establishes quantum computers as robust tools for studying universal features of thermalization in complex many-body systems, including in gauge theories.

97 MATHEMATICS AND COMPUTING↗

Machine learning a molecular Hamiltonian for predicting electron dynamics

We develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series of the electron density. As we demonstrate for three small molecules, the resulting Hamiltonians can be used for electron density evolution, producing highly accurate results even when propagating 1,000 time steps beyond the training data. As a more rigorous test, we use the learned Hamiltonians to simulate electron dynamics in the presence of an applied electric field, extrapolating to a problem that is beyond the field-free training data. We find that the resulting electron dynamics predicted by our learned Hamiltonian are in close quantitative agreement with the ground truth. Our method relies on combining a reduced-dimensional, linear statistical model of the Hamiltonian with a time-discretization of the quantum Liouville equation within time-dependent Hartree Fock theory. In conclusion, we train the model using a least-squares solver, avoiding numerous, CPU-intensive optimization steps. For both field-free and field-on problems, we quantify training and propagation errors, highlighting areas for future development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum algorithms for open lattice field theory

Certain aspects of some unitary quantum systems are well described by evolution via a non-Hermitian effective Hamiltonian, as in the Wigner-Weisskopf theory for spontaneous decay. Conversely, any non-Hermitian Hamiltonian evolution can be accommodated in a corresponding unitary system + environment model via a generalization of Wigner-Weisskopf theory. This demonstrates the physical relevance of novel features such as exceptional points in quantum dynamics, and opens up avenues for studying many-body systems in the complex plane of coupling constants. In the case of lattice field theory, sparsity lends these channels the promise of efficient simulation on standardized quantum hardware. We thus consider quantum operations that correspond to Suzuki-Lie-Trotter approximation of lattice field theories undergoing nonunitary time evolution, with potential applicability to studies of spin or gauge models at finite chemical potential, with topological terms, to quantum phase transitions—a range of models with sign problems. We develop non-Hermitian quantum circuits and explore their promise on a benchmark, the quantum one-dimensional Ising model with complex longitudinal magnetic field, showing that observables can probe the Lee-Yang edge singularity. The development of attractors past critical points in the space of complex couplings indicates a potential for study on near-term noisy hardware.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗