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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Digital quantum magnetism on a trapped-ion quantum computer

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 behaviours observed in equilibrium systems, ranging from the non-trivial microscopic origins of thermalization itself to the stabilization of effective models hosting exotic emergent properties. Here we use Quantinuum’s 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 owing 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. Furthermore, 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.

Information theory and computation↗
DOE OSTI2018

Optimization, Inference and Learning for Advanced Networks

This piece of software aims at providing an implementation of methods to perform efficient optimization, probabilistic inference and model selection and learning for various type of networked systems. The software contains a suite of methods and functions that: 1) perform probabilistic inference and random sampling on networked models 2) select or learn networked models from data 3) solve optimization tasks with a networked structure Network models that are supported by these features include, but are not limited to, factor graphs and Markov random fields such as Ising models, Potts models, p-spins models, Gaussian random fields and restricted Boltzmann machine.

Hijazi, Hassan↗
DOE OSTI2025

Alternating and Gaussian Fermionic Isometric Tensor Network States

Isometric tensor networks in two dimensions enable efficient and accurate study of quantum many-body states, yet the effect of the isometric restriction on the represented quantum states is not fully understood. We address this question in two main contributions. First, we introduce an improved variant of isometric tensor network states (isoTNS) in two dimensions, where the isometric arrows on the columns of the network alternate between pointing upward and downward; hence the name alternating isometric tensor network states. Second, we introduce a numerical tool—the isometric Gaussian fermionic TNS (isoGfTNS)—that incorporates isometric constraints into the framework of Gaussian fermionic tensor network states. We demonstrate in numerous ways that alternating isoTNSs represent many-body ground states of two-dimensional quantum systems significantly better than the original isoTNSs. First, we show that the entanglement in an isoTNS is mediated along the isometric arrows and that alternating isoTNSs mediate entanglement more efficiently than conventional isoTNSs. Second, alternating isoTNSs correspond to a deeper, and thus more representative, sequential-circuit construction of depth 𝒪⁢(𝐿𝑥 ⋅𝐿𝑦) compared to the original isoTNSs of depth 𝒪⁢(𝐿𝑥 +𝐿𝑦). Third, using the Gaussian framework and gradient-based energy minimization, we provide numerical evidence of better bond-dimension scaling and variational energy of alternating isoGfTNSs for ground states of various free-fermionic models, including the Fermi surface, the band insulator, and the 𝑝𝑥 +𝑖⁢𝑝𝑦 mean-field superconductor. Finally, benchmarking on the transverse-field Ising model, we demonstrate that an alternating isoTNS provides substantially improved performance and stability relative to the original isoTNS for the ground-state search algorithm in interacting systems.

Wu, Yantao [Chinese Academy of Sciences, Beijing (↗
DOE OSTI2021

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↗
DOE OSTI2024

Gallery of soft modes: Theory and experiment at a ferromagnetic quantum phase transition

We examine the low-energy excitations in the vicinity of the quantum critical point in LiHoF4, a physical realization of the Transverse Field Ising Model, focusing on the long-range fluctuations which soften to zero energy at the ferromagnetic quantum phase transition. Microwave spectroscopy in tunable loop-gap resonator structures identifies and characterizes the electronuclear soft mode and higher-energy electronuclear states as a function of frequency and magnetic fields applied transverse and parallel to the Ising axis. These are understood in the context of a theoretical model of a soft electronuclear mode that interacts with soft photons as well as soft phonons. We identify competing infrared divergences at the quantum critical point, coming from the photons and the electronuclear soft mode. It is an incomplete cancellation of these divergences that leads to the muted but distinct signatures observed in the experiments. The application of a longitudinal magnetic field gaps the soft mode. As a result, measurements well away from the quantum critical point reveal a set of "Walker'' modes associated with ferromagnetic domain dynamics.

Dipolar interaction↗
DOE OSTI2025

Simulating Meson Scattering on Spin Quantum Simulators

Studying high-energy collisions of composite particles, such as hadrons and nuclei, is an outstanding goal for quantum simulators. However, preparation of hadronic wave packets has posed a significant challenge, due to the complexity of hadrons and the precise structure of wave packets. This has limited demonstrations of hadron scattering on quantum simulators to date. Observations of confinement and composite excitations in quantum spin systems have opened up the possibility to explore scattering dynamics in spin models. In this article, we develop two methods to create entangled spin states corresponding to wave packets of composite particles in analog quantum simulators of Ising spin Hamiltonians. One wave-packet preparation method uses the blockade effect enabled by beyond-nearest-neighbor Ising spin interactions. The other method utilizes a quantum-bus-mediated exchange, such as the native spin-phonon coupling in trapped-ion arrays. With a focus on trapped-ion simulators, we numerically benchmark both methods and show that high-fidelity wave packets can be achieved in near-term experiments. We numerically study scattering of wave packets for experimentally realizable parameters in the Ising model and find inelastic-scattering regimes, corresponding to particle production in the scattering event, with prominent and distinct experimental signals. Our proposal, therefore, demonstrates the potential of observing inelastic scattering in near-term quantum simulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Performing fully parallel constraint logic programming on a quantum annealer

A quantum annealer exploits quantum effects to solve a particular type of optimization problem. The advantage of this specialized hardware is that it effectively considers all possible solutions in parallel, thereby potentially outperforming classical computing systems. However, despite quantum annealers having recently become commercially available, there are relatively few high-level programming models that target these devices. In this article, we show how to compile a subset of Prolog enhanced with support for constraint logic programming into a two-local Ising-model Hamiltonian suitable for execution on a quantum annealer. In particular, we describe the series of transformations one can apply to convert constraint logic programs expressed in Prolog into an executable form that bears virtually no resemblance to a classical machine model yet that evaluates the specified constraints in a fully parallel manner. We evaluate our efforts on a 1,095-qubit D-Wave 2X quantum annealer and describe the approach's associated capabilities and shortcomings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Robust preparation of ground state phases under noisy imaginary time evolution

Nonunitary state preparation protocols such as imaginary time evolution (ITE) offer substantial advantages relative to unitary ones, including the ability to prepare certain long-range correlated states more efficiently. Here, we ask whether such protocols are also robust to noise arising due to coupling to the environment. We consider a nonunitary ITE “circuit” subjected to a variety of noise models and investigate whether the resulting steady state remains in the same phase as the target state of the ITE at finite noise strength. Taking the one-dimensional quantum Ising model as a concrete example, we find that the ground-state order and associated phase transition persist in the presence of noise, provided the noise does not explicitly break the symmetry that protects the phase transition. That is, the noise must possess the protecting symmetry in a weak (or average) form. Our analysis is facilitated by a mapping to an effective Hamiltonian picture in a doubled Hilbert space. We discuss possible implications of these findings for quantum simulation on noisy quantum hardware. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

The battle of clean and dirty qubits in the era of partial error correction

When error correction becomes possible it will be necessary to dedicate a large number of physical qubits to each logical qubit. Error correction allows for deeper circuits to be run, but each additional physical qubit can potentially contribute an exponential increase in computational space, so there is a trade-off between using qubits for error correction or using them as noisy qubits. In this work, we look at the effects of using noisy qubits in conjunction with noiseless qubits (an idealized model for error-corrected qubits), which we call the “clean and dirty” setup. We employ analytical models and numerical simulations to characterize this setup. Numerically we show the appearance of Noise-Induced Barren Plateaus (NIBPs), i.e., an exponential concentration of observables caused by noise, in an Ising model Hamiltonian variational ansatz circuit. We observe this even if only a single qubit is noisy and given a deep enough circuit, suggesting that NIBPs cannot be fully overcome simply by error-correcting a subset of the qubits. On the positive side, we find that for every noiseless qubit in the circuit, there is an exponential suppression in the concentration of gradient observables, showing the benefit of partial error correction. Finally, our analytical models corroborate these findings by showing that observables concentrate with a scaling in the exponent related to the ratio of dirty-to-total qubits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The battle of clean and dirty qubits in the era of partial error correction

When error correction becomes possible it will be necessary to dedicate a large number of physical qubits to each logical qubit. Error correction allows for deeper circuits to be run, but each additional physical qubit can potentially contribute an exponential increase in computational space, so there is a trade-off between using qubits for error correction or using them as noisy qubits. In this work we look at the effects of using noisy qubits in conjunction with noiseless qubits (an idealized model for error-corrected qubits), which we call the "clean and dirty" setup. We employ analytical models and numerical simulations to characterize this setup. Numerically we show the appearance of Noise-Induced Barren Plateaus (NIBPs), i.e., an exponential concentration of observables caused by noise, in an Ising model Hamiltonian variational ansatz circuit. We observe this even if only a single qubit is noisy and given a deep enough circuit, suggesting that NIBPs cannot be fully overcome simply by error-correcting a subset of the qubits. On the positive side, we find that for every noiseless qubit in the circuit, there is an exponential suppression in concentration of gradient observables, showing the benefit of partial error correction. Finally, our analytical models corroborate these findings by showing that observables concentrate with a scaling in the exponent related to the ratio of dirty-to-total qubits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

First-principles and cluster expansion study of the effect of magnetism on short-range order in Fe–Ni–Cr austenitic stainless steels

Short-range order (SRO), the regular and predictable arrangement of atoms over short distances, alters the mechanical properties of technologically relevant structural materials such as medium/high entropy alloys and austenitic stainless steels. In this study, we present a generalized spin cluster expansion (CE) model and show that magnetism is a primary factor influencing the level of SRO present in austenitic Fe-Ni-Cr alloys. The spin CE consists of a chemical cluster expansion combined with an Ising model for Fe-Ni-Cr austenitic alloys. It explicitly accounts for local magnetic exchange interactions, thereby capturing the effects of finite temperature magnetism on SRO. Model parameters are obtained by fitting to a first-principles data set comprising both chemically and magnetically diverse FCC configurations. The magnitude of the magnetic exchange interactions are found to be comparable to the chemical interactions. Compared to a conventional implicit magnetism CE built from only magnetic ground state configurations, the spin CE shows improved performance on several experimental benchmarks over a broad spectrum of compositions, particularly at higher temperatures due to the explicit treatment of magnetic disorder. We find that SRO is strongly influenced by alloy Cr content, since Cr atoms prefer to align antiferromagnetically with nearest neighbors but become magnetically frustrated with increasing Cr concentration. Using the spin CE, we predict that increasing the Cr concentration in typical austenitic stainless steels promotes the formation of SRO and increases order-disorder transition temperatures. Furthermore, this study underscores the significance of considering magnetic interactions explicitly when exploring the thermodynamic properties of complex transition metal alloys. It also highlights guidelines for customizing SRO through adjustments of alloy composition.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Generative Modeling for Machine Learning on the D-Wave

These are slides on Generative Modeling for Machine Learning on the D-Wave. The following topics are detailed: generative models; Boltzmann machines: a generative model; restricted Boltzmann machines; learning parameters: RBM training; practical ways to train RBM; D-Wave as a Boltzmann sampler; mapping RBM onto the D-Wave; Chimera restricted RBM; mapping binary RBM to Ising model; experiments; data; D-Wave effective temperature, parameters noise, etc.; experiments: contrastive divergence (CD) 1 step; after 50 steps of CD; after 100 steps of CD; D-Wave (experiments 1, 2, 3); D-Wave observations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Solving the 2D SUSY Gross-Neveu-Yukawa model with conformal truncation

We use Lightcone Conformal Truncation to analyze the RG flow of the two-dimensional supersymmetric Gross-Neveu-Yukawa theory, i.e. the theory of a real scalar superfield with a $\mathbb{Z}$ 2 -symmetric cubic superpotential, aka the 2d Wess-Zumino model. The theory depends on a single dimensionless coupling $\overline{g}$, and is expected to have a critical point at a tuned value ${\overline{g}}_{\ast }$ where it flows in the IR to the Tricritical Ising Model (TIM); the theory spontaneously breaks the $\mathbb{Z}$ 2 symmetry on one side of this phase transition, and breaks SUSY on the other side. We calculate the spectrum of energies as a function of $\overline{g}$ and see the gap close as the critical point is approached, and numerically read off the critical exponent ν in TIM. Beyond the critical point, the gap remains nearly zero, in agreement with the expectation of a massless Goldstino. We also study spectral functions of local operators on both sides of the phase transition and compare to analytic predictions where possible. In particular, we use the Zamolodchikov C -function to map the entire phase diagram of the theory. Crucial to this analysis is the fact that our truncation is able to preserve supersymmetry sufficiently to avoid any additional fine tuning.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1991

Ordering and phase transitions in random-field Ising systems

An exact analysis of the Ising model with infinite-range interactions in a random field and a local mean-field theory in three dimensions is carried out leading to a phase diagram with several coexistence surfaces and lines of critical points. The results show that the phase diagram depends crucially on whether the distribution of random fields is symmetric or not. Thus, Ising-like phase transitions in a porous medium (the asymmetric case) are in a different universality class from the conventional random-field model (symmetric case).

Maritan, Amos↗
DOE OSTI2015

Consistency tests of classical and quantum models for a quantum annealer

Lately the question of whether the D-Wave processors exhibit large-scale quantum behavior or can be described by a classical model has attracted significant interest. In this work we address this question by studying a 503 qubit D-Wave Two device in the "black box" model, i.e., by studying its input-output behavior. Our work generalizes an approach introduced in Boixo et al. [Nat. Commun. 4, 2067 (2013)], and uses groups of up to 20 qubits to realize a transverse Ising model evolution with a ground state degeneracy whose distribution acts as a sensitive probe that distinguishes classical and quantum models for the D-Wave device. Our findings rule out all classical models proposed to date for the device and provide evidence that an open system quantum dynamical description of the device that starts from a quantized energy level structure is well justified, even in the presence of relevant thermal excitations and a small value of the ratio of the single-qubit decoherence time to the annealing time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Exact solution of the frustrated Potts model with next-nearest-neighbor interactions in one dimension via AI bootstrapping

The one-dimensional (1D) 𝐽 1 −𝐽 2 𝑞-state Potts model is solved exactly for arbitrary 𝑞 by analytically block-diagonalizing the original 𝑞 2 ×𝑞 2 transfer matrix into a simple 2 × 2 maximally symmetric subspace, based on using OpenAI's reasoning model o3-mini-high to exactly solve the 𝑞 = 3 case. Furthermore, by matching relevant subspaces, we map the Potts model onto a simpler effective 1D 𝑞-state Potts model, where 𝐽 2 acts as the nearest-neighbor interaction and 𝐽 1 as an effective magnetic field, nontrivially generalizing a 56-year-old theorem previously limited to the simplest case (𝑞 = 2, the Ising model). Our exact results provide insights to phenomena such as atomic or electronic order stacking in layered materials and the emergence of dome-shaped phases in complex phase diagrams. In conclusion, this work is anticipated to fuel both research in 1D frustrated magnets for recently discovered finite-temperature application potentials and the fast moving topic area of AI in science.

1-dimensional spin chains↗
DOE OSTI2024

Emergence of the isotropic Kitaev honeycomb lattice $α$–RuCl 3 and its magnetic properties

Here, we present a comprehensive investigation of the crystal and magnetic structures of the van der Waals antiferromagnet $α$–RuCl 3 using single crystal x-ray and neutron diffraction. The crystal structure at room temperature is a monoclinic (C2/m). However, with decreasing temperature, a remarkable first-order structural phase transition is observed, leading to the emergence of a rhombohedral ($R\bar3$) structure characterized by three-fold rotational symmetry forming an isotropic honeycomb lattice. On further cooling, a zigzag-type antiferromagnetic order develops below $T_{\textrm{N}} = 6\sim6.6$ K. The critical exponent of the magnetic order parameter was determined to be $\beta = 0.11(1)$, which is close to the two-dimensional Ising model. Additionally, the angular dependence of the magnetic critical field of the zigzag antiferromagnetic order for the polarized ferromagnetic phase reveals a six-fold rotational symmetry within the ab–plane. These findings reflect the symmetry associated with the Ising-like bond-dependent Kitaev spin interactions and underscore the universality of the Kitaev interaction-dominated antiferromagnetic system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗