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At least 469 records · Page 26

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↗

Magnetopause modeling - Flux transfer events and magnetosheath quasi-trapped distributions

Three-dimensional distribution functions for energetic ions are studied numerically in the magnetosphere, through the magnetopause, and in the magnetosheath using a simple one-dimensional quasi-static model and ISEE 1 magnetopause crossing data for November 10, 1977. Quasi-trapped populations in the magnetosheath observed near flux transfer events (FTEs) are investigated, and it is shown that the population in the sheath appears to sandwich the FTE distributions. These quasi-trapped distributions are due to slow, large pitch angle, outward moving particles left behind by the outward rush of the ions more field-aligned at the time the flux was opened. It is found that sheath convective flows can map along the connected flux tube without drastically changing the distribution function, and results suggest that localized tangential fields above the upper limit may exist.

Speiser, T. W.↗

Accelerating Continuous Variable Coherent Ising Machines Via Momentum

The Coherent Ising Machine (CIM) is a non-conventional architecture that takes inspiration from physical annealing processes to solve Ising problems heuristically. Its dynamics are naturally continuous and described by a set of ordinary differential equations that have been proven to be useful for the optimization of continuous variables nonconvex quadratic optimization problems. The dynamics of such Continuous Variable CIMs (CV-CIM) encourage optimization via optical pulses whose amplitudes are determined by the negative gradient of the objective; however, standard gradient descent is known to be trapped by local minima and hampered by poor problem conditioning. In this work, we propose to modify the CV-CIM dynamics using more sophisticated pulse injections based on tried-and-true optimization techniques such as momentum and Adam. Through numerical experiments, we show that the momentum and Adam updates can significantly speed up the CV-CIM’s convergence and improve sample diversity over the original CV-CIM dynamics. We also find that the Adam-CV-CIM’s performance is more stable as a function of feedback strength, especially on poorly conditioned instances, resulting in an algorithm that is more robust, reliable, and easily tunable. More broadly, we identify the CIM dynamical framework as a fertile opportunity for exploring the intersection of classical optimization and modern analog computing.

Ising Model↗

Investigation of the mechanical and microstructural evolution of a Cu based bulk metallic glass during ion irradiation

Ion irradiation and annealing experiments were performed on Cu 60 Zr 20 Hf 10 Ti 10 bulk metallic glass (BMG) specimens to investigate their irradiation- and temperature-induced microstructural and mechanical property evolution. For the ion irradiations, samples were exposed to 9 MeV Ni 3+ ions to a midrange (~1.2 μm depth) dose of 10 displacements per atom (dpa) at temperatures ranging from room temperature to 360 °C (the corresponding peak dose at ~2.8 μm depth was ~25 dpa). Bulk X-ray diffraction (XRD) and transmission electron microscopy (TEM) characterization revealed that the alloy did not crystallize during irradiation up to 290 °C but did partially crystallize at 360 °C. XRD analysis revealed that the crystallization which occurred in the sample irradiated at 360 °C was caused by thermal effects instead of irradiation displacement damage. Subsequent Rietveld refinement analysis of the XRD measurements revealed the presence of two distinct crystal phases, namely a CuTiZr hexagonal structure belonging to the P63/mmc space group and a CuTi tetragonal structure belonging to the P4/mmm space group. Nanoindentation experiments revealed that no pronounced hardness changes occurred in the specimens irradiated at room temperature and 290°C, although significant hardening was observed in the sample irradiated at 360 °C. The significant increase in the hardness at 360°C was ascribed to thermally induced partial crystallization of the alloy instead of the ion irradiation. In general, the results of the nanoindentation experiments and XRD characterization suggest that although the Cu BMG exhibits good stability during irradiation at temperatures up to 290 °C it is not suitable for irradiation environments where the temperature is 360 °C for extended periods of time. The Lam and Chong extrapolation method, which has been used to study the indentation size effect (ISE) in amorphous alloys, was employed to quantify how irradiation and temperature affect this type of behavior in the BMG. However, the poor linear fitting of the indentation hardness data by this model indicate that a new ISE model is likely needed to quantify indentation hardening in BMGs.

36 MATERIALS SCIENCE↗

Lyapunov growth in quantum spin chains

The Ising spin chain with longitudinal and transverse magnetic fields is often used in studies of quantum chaos, displaying both chaotic and integrable regions in its parameter space. However, even at a strongly chaotic point this model does not exhibit Lyapunov growth of the commutator squared of spin operators, as this observable saturates before exponential growth can manifest itself (even in situations where a spatial suppression factor makes the initial commutator small). In this work, we extend this model from the spin 1/2 Ising model to higher spins, demonstrate numerically that a window of exponential growth opens up for sufficiently large spin, and extract a quantity which corresponds to a notion of a Lyapunov exponent. In the classical infinite-spin limit, we identify and compute the appropriate classical analog of the commutator squared, and show that the corresponding exponent agrees with the infinite-spin limit extracted from the quantum spin chain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Machine learning force field model for kinetic Monte Carlo simulations of itinerant Ising magnets

Here, we present a scalable machine learning (ML) framework for large-scale kinetic Monte Carlo (kMC) simulations of itinerant electron Ising systems. As the effective interactions between Ising spins in such itinerant magnets are mediated by conducting electrons, the calculation of energy change due to a local spin update requires solving an electronic structure problem. Such repeated electronic structure calculations could be overwhelmingly prohibitive for large systems. Assuming the locality principle, a convolutional neural network (CNN) model is developed to directly predict the effective local field and the corresponding energy change associated with a given spin update based on Ising configuration in a finite neighborhood. As the kernel size of the CNN is fixed at a constant, the model can be directly scalable to kMC simulations of large lattices. Our approach is reminiscent of the ML force field models widely used in first-principles molecular dynamics simulations. Applying our ML framework to a square-lattice double-exchange Ising model, we uncover unusual coarsening of ferromagnetic domains at low temperatures. Our work highlights the potential of ML methods for large-scale modeling of similar itinerant systems with discrete dynamical variables.

machine learning↗

A model of the near-earth plasma environment and application to the ISEE-A and -B orbit

A model of the near-earth environment to obtain a best estimate of the average flux of protons and electrons in the energy range from 0.1 to 100 keV for the International Sun-Earth Explorer (ISEE)-A and -B spacecraft. The possible radiation damage to the thermal coating on these spinning spacecraft is also studied. Applications of the model to other high-altitude satellites can be obtained with the appropriate orbit averaging. This study is the first attempt to synthesize an overall quantitative environment of low-energy particles for high altitude spacecraft, using data from in situ measurements.

Chan, K. W.↗

Correlation functions for a spin-(1/2) Ising-XYZ diamond chain: Further evidence for quasi-phases and pseudo-transitions

One-dimensional systems with short-range interactions cannot exhibit a long-range order at nonzero temperature. However, there are some particular one-dimensional models, such as the Ising–Heisenberg spin models with a variety of lattice geometries, which exhibit unexpected behavior similar to the discontinuous or continuous temperature-driven phase transition. Although these pseudo-transitions are not true temperature-driven transitions showing only abrupt changes or sharp peaks in thermodynamic quantities, they may be confused while interpreting experimental data. Here we consider the spin-(1/2) Ising-XYZ diamond chain in the regime when the model exhibits temperature-driven pseudo-transitions. We provide a detailed investigation of several correlation functions between distant spins that illustrates the properties of quasi-phases separated by pseudo-transitions. Inevitably, all correlation functions show the evidence of pseudo-transition, which are supported by the analytical solutions and, besides we provide a rigorous analytical investigation around the pseudo-critical temperature. It is worth to mention that the correlation functions between distant spins have an extremely large correlation length at pseudo-critical temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cosmic ray composition investigations using ICE/ISEE-3

The analysis of data from the high energy cosmic experiment on ISEE-3 and associated modeling and interpretation activities are discussed. The ISEE-3 payload included two instruments capable of measuring the composition of heavy cosmic rays. The designs of these two instruments incorporated innovations which made it possible, for the first time, to measure isotopic as well as the chemical composition for a wide range of elements. As the result of the demonstrations by these two instruments of the capability to resolve individual cosmic ray isotopes, a new generation of detectors was developed using very similar designs, but having improved reliability and increased sensitive area. The composition measurements which were obtained from the ISEE-3 experiment are summarized.

Wiedenbeck, Mark E.↗

Energetic ion beams at the edge of the plasma sheet - ISEE 1 observations plus a simple explanatory model

It has been found that energetic ions with energies in the range from 10 keV to 2 MeV are an important part of the geomagnetic tail particle population. A description is presented of energetic ion, three-dimensional distribution observations from ISEE 1 during 0400-2000 UT, May 3, 1978, a time when several encounters with the geomagnetic tail plasma sheet occurred. Pronounced energetic ion streaming is observed at each entry to and exit from the plasma sheet. Azimuthal gradients observed during these times indicate that this streaming occurs within two gyroradii of the plasma sheet edge. Streaming characteristics show both narrow and broad angular flows at arbitrary angles to B. These flows are observed simultaneously and individually. The time, energy, and pitch angle evolution of the ion fluxes show that ISEE 1 is encountering a dynamic and not a static equilibrium situation at the edge of the plasma sheet.

Williams, D. J.↗

Quantum decoration transformation for spin models

It is quite relevant the extension of decoration transformation for quantum spin models since most of the real materials could be well described by Heisenberg type models. Here we propose an exact quantum decoration transformation and also showing interesting properties such as the persistence of symmetry and the symmetry breaking during this transformation. Although the proposed transformation, in principle, cannot be used to map exactly a quantum spin lattice model into another quantum spin lattice model, since the operators are non-commutative. However, it is possible the mapping in the “classical” limit, establishing an equivalence between both quantum spin lattice models. To study the validity of this approach for quantum spin lattice model, we use the Zassenhaus formula, and we verify how the correction could influence the decoration transformation. But this correction could be useless to improve the quantum decoration transformation because it involves the second-nearest-neighbor and further nearest neighbor couplings, which leads into a cumbersome task to establish the equivalence between both lattice models. This correction also gives us valuable information about its contribution, for most of the Heisenberg type models, this correction could be irrelevant at least up to the third order term of Zassenhaus formula. This transformation is applied to a finite size Heisenberg chain, comparing with the exact numerical results, our result is consistent for weak xy-anisotropy coupling. We also apply to bond-alternating Ising–Heisenberg chain model, obtaining an accurate result in the limit of the quasi-Ising chain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Realization of two-dimensional discrete time crystals with anisotropic Heisenberg coupling

A discrete time crystal (DTC) is an out-of-equilibrium phase of matter that spontaneously breaks discrete time-translation symmetry. Previous studies have been limited to a set of models with Ising-like couplings - and mostly only in one dimension - thus precluding our understanding of the existence (or not) of DTCs in models with more realistic interactions. In this work, by combining the latest generation of IBM quantum processors with state-of-the-art tensor network methods, we demonstrate the existence of a DTC in a two-dimensional system governed by anisotropic Heisenberg interactions. We uncover a rich phase diagram encompassing spin-glass, ergodic, and time-crystalline phases, and identify the interplay of initialization, interaction anisotropy, and driving protocols in stabilizing the DTC phase. By extending the study of Floquet matter beyond simplified models, we lay the groundwork for exploring how driven systems bridge the gap between quantum coherence and emergent non-equilibrium thermodynamics.

Phase transitions and critical phenomena↗

Quantum-Assisted Variational Segmentation for Image-to-Image Wildfire Detection Using Satellite Data

The quantum computing community has been searching for suitable applications to demonstrate the potential of near-term quantum devices. Quantum machine learning is a potential candidate, particularly using models that cannot be efficiently simulated with classical computers [1, 2]. This work focuses on a transition phase of quantum computers where the quantum machine learning model is still simulable classically but projected not to be simulable as the size of the model grows. Ultimately quantum computers may have advantages for high-dimensional real-world problems. Due to the limited number of qubits in current noisy intermediate-scale quantum (NISQ) devices, the direct application of quantum computers in high dimensional data is not feasible. To remedy this problem, an encoder-decoder architecture can be utilized. The encoder model would transform the high-dimensional data into a compact representation, to a level that small quantum computers can be used today (or in the near future), and the decoder would take the quantum processed outputs back to the high-dimensional space. Addressing the two challenges of quantum machine learning, this work investigates a hybrid supervised generative model with a quantum Ising Born machine embedded as the latent distribution. The model contains four main parts (Figure 1.a.): (1) a U-NET architecture responsible for learning segmentation flow, (2) a Prior network responsible for learning an encoded latent distribution of the input data, (3) a Born machine which represents the latent distribution, and (4) a Posterior network in charge of learning the joint encoded latent distribution of inputs and target data. The initial model, proposed by [3], is optimized by (1) maximizing the overlap of the prior and posterior latent distributions, and (2) minimizing the segmentation loss. The proposed model is designed to be investigated in a simulation environment applied to the real-world application of wildfire segmentation. Specifically, the model is designed to solve the patchy wildfire segmentations of Moderate Resolution Imaging Spectroradiometer (MODIS) by taking the MODIS observations and using Visible Infrared Imaging Radiometer Suite’s (VIIRS) consistent wildfire product as the target. The model solves patchy wildfire segmentations and provides insight into the epistemic errors sourced from model variation. The model utilizes the Born machine as a QUBO solver to represent the latent space as a Bernoulli distribution. The proposed configuration allows the variational segmentation model to leverage the true quantum probabilistic nature and derive a more expressive latent configuration, increasing the model performance in describing wildfire segmentations. The quantum probabilistic information of the Born machine is directly incorporated in the Kullback-Leibler divergence loss in the prior and posterior distributions, forcing the Bernoulli latent distribution to maximize the overlap of input and joint input-target distributions. The proposed model is then trained and compared with a baseline only consisting of direct Bernoulli latent distribution with no Born machine representing the latent space. The models are evaluated based on the segmentation metrics, such as precision, recall, intersect of union, with uncertainty boundaries accounting for the stochastic nature of the model. Our findings show that even in low latent-dimensional space (due to the limit in computational power of the classical quantum simulator), we are able to effectively capture the latent representation and hence the model performs better than the baseline. The findings are a projection for scaling the model into higher dimensional latent space with the Born machine surpassing the baseline performance. Figure 1. Sub-figure (a) demonstrates the architecture for the training phase. The model consists of a Prior and Posterior network that encode inputs and joint input-target data into compact representations, respectively. The Born machine represents the latent distribution, and the U-NET branch learns the segmentation patterns of the data. The stochasticity is introduced to the U-NET through its last layer to create meaningful but stochastic segmentations. Sub-figure (b) represents the inference phase where the model takes the stochastic behavior from the prior network and injects that into the U-NET. Each attempt of inference will generate different but similar segmentations from the same distribution of the wildfire event. REFERENCES [1] Coyle, B., Mills, D., Danos, V., & Kashefi, E. (2020). The Born supremacy: quantum advantage and training of an Ising Born machine. npj Quantum Information, 6(1), 1-11. [2] Liu, J. G., & Wang, L. (2018). Differentiable learning of quantum circuit born machines. Physical Review A, 98(6), 062324. [3] Kohl, S., Romera-Paredes, B., Meyer, C., De Fauw, J., Ledsam, J. R., Maier-Hein, K., ... & Ronneberger, O. (2018). A probabilistic u-net for segmentation of ambiguous images. Advances in neural information processing systems, 31.

quantum machine learning↗

Frustrated Ising charge correlations in the kagome metal ScV 6 Sn 6

Here we resolve the real-space nature of the high-temperature, short-range charge correlations in the kagome metal ScV 6 Sn 6 . Diffuse scattering appears along a frustrated wave vector q H = ($\frac{1}{3}, \frac{1}{3}, \frac{1}{2}$) at temperatures far exceeding the charge order T CO = 92 K, preempting long-range charge order with wave vectors along q$_{\bar{K}}$ = ($\frac{1}{3}, \frac{1}{3}, \frac{1}{3}$). Using a combination of real space and reciprocal space analysis, we resolve the nature of the interactions between the primary out-of-plane Sc-Sn chain instability and the secondary strain-mediated distortion of the in-plane V kagome network. Finally, a minimal model of the diffuse scattering data reveals a high-temperature, short-ranged "zig-zag" phase of in-plane correlations that maps to a frustrated triangular lattice Ising model with antiferromagnetic interactions and provides a real-space understanding of the origin frustrated charge order in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural complexity of snapshots of two-dimensional Fermi-Hubbard systems

The development of quantum gas microscopy for two-dimensional optical lattices has provided an unparalleled tool to study the Fermi-Hubbard model (FHM) with ultracold atoms. Spin-resolved projective measurements, or snapshots, have played a significant role in quantifying correlation functions, theory verification, and thus the uncovering of underlying physical phenomena such as antiferromagnetism at commensurate filling on bipartite lattices and other charge and spin correlations, as well as dynamical properties at various densities. Here we employ a recent concept, the multiscale structural complexity, and show that when computed for the snapshots (of single spin species, local moments, or total density) it can provide a theory-free property, immediately accessible to experiments. Specifically, after benchmarking results for Ising and $XY$ models, we study the structural complexity of snapshots of the repulsive FHM in the two-dimensional square lattice as a function of doping and temperature. We generate projective measurements using determinant quantum Monte Carlo and compare their complexities against those from the experiment. We demonstrate that these complexities are linked to relevant physical observables such as the entropy and double occupancy. Their behaviors capture the development of correlations and relevant length scales in the system. Furthermore, we provide an open-source code in python which can be implemented into data analysis routines in experimental settings for the square lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tricriticality in crossed Ising chains

We explore the phase diagram of Ising spins on one-dimensional chains which criss-cross in two perpendicular directions and which are connected by interchain couplings. This system is of interest as a simpler, classical analog of a quantum Hamiltonian which has been proposed as a model of magnetic behavior in Nb 12 O 29 and also, conceptually, as a geometry which is intermediate between one and two dimensions. Here, using mean field theory as well as Metropolis Monte Carlo and Wang-Landau simulations, we locate quantitatively the boundaries of four ordered phases. Each becomes an effective Ising model with unique effective couplings at large interchain coupling. Away from this limit we demonstrate non-trivial critical behavior, including tricritical points which separate first and second order phase transitions. Finally, we present evidence that this model belongs to the 2D Ising universality class.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Coarsening dynamics of Ising-nematic order in a frustrated Heisenberg antiferromagnet

We study the phase ordering dynamics of the classical antiferromagnetic 𝐽 1 −𝐽 2 (nearest-neighbor and next-nearest-neighbor couplings) Heisenberg model on the square lattice in the strong frustration regime (𝐽 2 /𝐽 1 > 1/2). While thermal fluctuations preclude any long-range magnetic order at finite temperatures, the system exhibits a long-range spin-driven nematic phase at low temperatures. The transition into the nematic phase is further shown to belong to the two-dimensional Ising universality class based on the critical exponents near the phase transition. Our large-scale stochastic Landau-Lifshitz-Gilbert simulations find a two-stage phase ordering when the system is quenched from a high-temperature paramagnetic state into the nematic phase. In the early stage, collinear alignments of spins lead to a locally saturated Ising-nematic order. Once domains of well-defined Ising order are developed, the late-stage relaxation is dominated by curvature-driven domain coarsening, as described by the Allen-Cahn equation. The characteristic size of Ising-nematic domains scales as the square root of time, similar to the kinetic Ising model described by the time-dependent Ginzburg-Landau theory. Our results confirm that the late-stage ordering kinetics of the spin-driven nematic, which is a vestigial order of the frustrated Heisenberg model, belongs to the dynamical universality class of a nonconserved Ising order. Interestingly, the system shows no violation of the superuniversality hypothesis under weak bond disorder. The dynamic scaling invariance is preserved in the presence of weak bond disorder. Here, we also discuss possible applications of our results to materials for which vestigial Ising-nematic order is realized.

Antiferromagnets↗