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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dynamical phase transitions in models of collective neutrino oscillations

Collective neutrino oscillations can potentially play an important role in transporting lepton flavor in astrophysical scenarios where the neutrino density is large, typical examples are the early universe and supernova explosions. It has been argued in the past that simple models of the neutrino Hamiltonian designed to describe forward scattering can support substantial flavor evolution on very short timescales t ≈ log(N) / (G Fρν ), with N the number of neutrinos, G F the Fermi constant and ρ ν the neutrino density. This finding is in tension with results for similar but exactly solvable models for which t ≈ √N/(G Fρν ) instead. In this work we provide a coherent explanation of this tension in terms of dynamical phase transitions (DPT) and study the possible impact that a DPT could have in more realistic models of neutrino oscillations and their mean-field approximation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

CrysFieldExplorer : rapid optimization of the crystal field Hamiltonian

A new approach to the fast optimization of crystal electric field (CEF) parameters to fit experimental data is presented. This approach is implemented in a lightweight Python-based program, CrysFieldExplorer. The main novelty of the method is the development of a unique loss function, referred to as the spectrum characteristic loss (L Spectrum ), which is based on the characteristic polynomial of the Hamiltonian matrix. Particle swarm optimization and a covariance matrix adaptation evolution strategy are used to find the minimum of the total loss function. It is demonstrated that CrysFieldExplorer can perform direct fitting of CEF parameters to any experimental data such as a neutron spectrum, susceptibility or magnetization measurements etc. CrysFieldExplorer can handle a large number of non-zero CEF parameters and reveal multiple local and global minimum solutions. Crystal field theory, the loss function, and the implementation and limitations of the program are discussed within the context of two examples.

42 ENGINEERING↗
DOE OSTI2022

Provably accurate simulation of gauge theories and bosonic systems

Quantum many-body systems involving bosonic modes or gauge fields have infinite-dimensional local Hilbert spaces which must be truncated to perform simulations of real-time dynamics on classical or quantum computers. To analyze the truncation error, we develop methods for bounding the rate of growth of local quantum numbers such as the occupation number of a mode at a lattice site, or the electric field at a lattice link. Our approach applies to various models of bosons interacting with spins or fermions, and also to both abelian and non-abelian gauge theories. We show that if states in these models are truncated by imposing an upper limit Λ on each local quantum number, and if the initial state has low local quantum numbers, then an error at most ϵ can be achieved by choosing Λ to scale polylogarithmically with ϵ − 1 , an exponential improvement over previous bounds based on energy conservation. For the Hubbard-Holstein model, we numerically compute a bound on Λ that achieves accuracy ϵ , obtaining significantly improved estimates in various parameter regimes. We also establish a criterion for truncating the Hamiltonian with a provable guarantee on the accuracy of time evolution. Building on that result, we formulate quantum algorithms for dynamical simulation of lattice gauge theories and of models with bosonic modes; the gate complexity depends almost linearly on spacetime volume in the former case, and almost quadratically on time in the latter case. We establish a lower bound showing that there are systems involving bosons for which this quadratic scaling with time cannot be improved. By applying our result on the truncation error in time evolution, we also prove that spectrally isolated energy eigenstates can be approximated with accuracy ϵ by truncating local quantum numbers at Λ = polylog ( ϵ − 1 ) .

Tong, Yu↗
DOE OSTI2020

Holography and unitarity

If holography is an equivalence between quantum theories, one might expect it to be described by a map that is a bijective isometry between bulk and boundary Hilbert spaces, preserving the hamiltonian and symmetries. Holography has been believed to be a property of gravitational (or string) theories, but not of non-gravitational theories; specifically Marolf has argued that it originates from the gauge symmetries and constraints of gravity. These observations suggest study of the assumed holographic map as a function of the gravitational coupling G . The zero coupling limit gives ordinary quantum field theory, and is therefore not necessarily expected to be holographic. This, and the structure of gravity at non-zero G , raises important questions about the full map. In particular, construction of a holographic map appears to require as input a solution of the nonperturbative analog of the bulk gravitational constraints, that is, the unitary bulk evolution. Moreover, examination of the candidate boundary algebra, including the boundary hamiltonian, reveals commutators that don’t close in the usual fashion expected for a boundary theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Time Evolution in Quantum Cosmology

The quantum description of time evolution in non-linear gravitational systems such as cosmological space-times is not well understood. We show, in the simplified setting of mini-superspace, that time evolution of this system can be obtained using a gauge fixed path integral, as long as one does not integrate over proper time. Using this gauge fixed action we can construct a Hamiltonian in the coherent - or classical - state basis. We show that by construction the coherent states satisfy the classical dynamical equations of General Relativity. They do not satisfy the Hamiltonian constraint. A consequence of this is that the Wheeler-DeWitt equation should not be satisfied in quantum gravity. Classical states have a natural non-trivial time evolution since they are not eigenstates of the Hamiltonian. A general feature of the unconstrained quantum theory of gravity is the prediction of a pressureless dark matter component of either sign energy density in the classical universe which may lead to novel phenomenology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Perturbative quantum evolution of the gravitational state and dressing in general backgrounds

This paper sets up a perturbative treatment of the evolving quantum state of a gravitational system, in a Schrödinger-like picture, working about a general background. This connects gauge symmetry, the constraints, gravitational dressing, and evolution. Starting with a general time slicing, we give a simple derivation of the relation between the constraints, the Hamiltonian, and its well-known boundary term. Among different approaches to quantization with constraints, we focus on a “gauge-invariant canonical quantization,” which is developed perturbatively in the gravitational coupling. The leading-order solution of the constraints (including the Wheeler-DeWitt equation) for perturbations about the background is given in terms of an explicit construction of gravitational dressings built using certain generalized Green’s functions; different such dressings corresponding to adding propagating gravitational waves to a particular solution of the constraints. Dressed operators commute with the constraints, expressing their gauge invariance, and have an algebraic structure differing significantly from the undressed operators of the underlying field theory. These operators can act on the vacuum to create dressed states, and evolution of general such states is then generated by the boundary Hamiltonian, and alternately may be characterized using other relational observables. This provides a concrete approach to studying perturbative time evolution, including the leading gravitational backreaction, of quantum states of black holes with flat or anti–de-Sitter asymptotics, for example on horizon-crossing slices. This description of evolution in turn provides a starting point for investigating possibly important corrections to quantum evolution, that go beyond quantized general relativity. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Analytical solution for nonadiabatic quantum annealing to arbitrary Ising spin Hamiltonian

Abstract Ising spin Hamiltonians are often used to encode a computational problem in their ground states. Quantum Annealing (QA) computing searches for such a state by implementing a slow time-dependent evolution from an easy-to-prepare initial state to a low energy state of a target Ising Hamiltonian of quantum spins, H I . Here, we point to the existence of an analytical solution for such a problem for an arbitrary H I beyond the adiabatic limit for QA. This solution provides insights into the accuracy of nonadiabatic computations. Our QA protocol in the pseudo-adiabatic regime leads to a monotonic power-law suppression of nonadiabatic excitations with time T of QA, without any signature of a transition to a glass phase, which is usually characterized by a logarithmic energy relaxation. This behavior suggests that the energy relaxation can differ in classical and quantum spin glasses strongly, when it is assisted by external time-dependent fields. In specific cases of H I , the solution also shows a considerable quantum speedup in computations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Entanglement Hamiltonian of Many-Body Dynamics in Strongly Correlated Systems

A powerful perspective in understanding nonequilibrium quantum dynamics is through the time evolution of its entanglement content. Yet apart from a few guiding principles for the entanglement entropy,to date, much less is known about the refined characteristics of entanglement propagation. In this paper we unveil signatures of the entanglement evolving and information propagating out of equilibrium, from the view of the entanglement Hamiltonian. We investigate quantum quench dynamics of prototypical Bose-Hubbard model using state-of-the-art numerical technique combined with conformal field theory. Before reaching equilibrium, it is found that a current operator emerges in the entanglement Hamiltonian, implying that entanglement spreading is carried by particle flow. In the long-time limit the subsystem enters a steady phase, evidenced by the dynamic convergence of the entanglement Hamiltonian to the expectation of a thermal ensemble. Importantly, the entanglement temperature in steady state is spatially independent,which provides an intuitive trait of equilibrium. These findings not only provide crucial information on how equilibrium statistical mechanics emerges in many-body dynamics, but also add a tool to exploring quantum dynamics from the perspective of the entanglement Hamiltonian.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantum simulation of Lindbladian dynamics via repeated interactions

The Lindblad equation generalizes the Schrödinger equation to quantum systems that undergo dissipative dynamics. The quantum simulation of Lindbladian dynamics is therefore non-unitary, preventing a naive application of state-of-the-art quantum algorithms. Here, we make use of an approximate correspondence between Lindbladian dynamics and evolution based on repeated interaction (RI) CPTP maps to write down a Hamiltonian formulation of the Lindblad dynamics and derive a rigorous error bound on the master equation. Specifically, we show that the number of interactions needed to simulate the Liouvillian within error e scales in most physical scenarios as . This is significant because the error in the Lindbladian approximation to the dynamics is not explicitly bounded in existing quantum algorithms for open system simulations. We then provide quantum algorithms to simulate RI maps using an iterative qubitization approach and Trotter–Suzuki formulas, and specifically show that for iterative qubitization the number of operations needed to simulate the dynamics (for a fixed value of ?) scales as in the limit where a0 (the coefficient 1-norm for the system and bath Hamiltonians) asymptotically dominates over the corresponding factor for the interaction Hamiltonian, which is often the case in weak coupling. This scaling would appear to be optimal if the complexity of ? is not considered, which underscores the importance of considering the error in the Liouvillian that we reveal in this work.

Quantum Computing↗
DOE OSTI2020

First-principles theory of the Dirac semimetal Cd 3 As 2 under Zeeman magnetic field

Time-reversal broken Weyl semimetals have attracted much attention recently, but certain aspects of their behavior, including the evolution of their Fermi surface topology and anomalous Hall conductivity with Fermi-level position, have remained underexplored. A promising route to obtain such materials may be to start with a nonmagnetic Dirac semimetal and break time-reversal symmetry via magnetic doping or magnetic proximity. Here we explore this scenario in the case of the Dirac semimetal Cd 3 As 2 , based on first-principles density-functional calculations and subsequent low-energy modeling of Cd 3 As 2 in the presence of a Zeeman field applied along the symmetry axis. We clarify how each four-fold degenerate Dirac node splits into four Weyl nodes, two with chirality ±1 and two higher-order nodes with chirality ±2. Using a minimal k · p model Hamiltonian whose parameters are fit to the first-principles calculations, we detail the evolution of the Fermi surfaces and their Chern numbers as the Fermi energy is scanned across the region of the Weyl nodes at fixed Zeeman field. We also compute the intrinsic anomalous Hall conductivity as a function of Fermi-level position, finding a characteristic inverted-dome structure. Cd 3 As 2 is especially well suited to such a study because of its high mobility, but the qualitative behavior revealed here should be applicable to other Dirac semimetals as well.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nearly optimal state preparation for quantum simulations of lattice gauge theories

Here, we present several improvements to the recently developed ground-state preparation algorithm based on the quantum eigenvalue transformation for unitary matrices (QETU), apply this algorithm to a lattice formulation of U(1) gauge theory in (2+1) dimensions, as well as propose an alternative application of QETU, a highly efficient preparation of Gaussian distributions. The QETU technique was originally proposed as an algorithm for nearly optimal ground-state preparation and ground-state energy estimation on early fault-tolerant devices. It uses the time-evolution input model, which can potentially overcome the large overall prefactor in the asymptotic gate cost arising in similar algorithms based on the Hamiltonian input model. We present modifications to the original QETU algorithm that significantly reduce the cost for the cases of both exact and Trotterized implementation of the time evolution circuit. We use QETU to prepare the ground state of a U(1) lattice gauge theory in two spatial dimensions, explore the dependence of computational resources on the desired precision and system parameters, and discuss the applicability of our results to general lattice gauge theories. We also demonstrate how the QETU technique can be utilized for preparing Gaussian distributions and wave packets in a way which outperforms existing algorithms for as little as n q ≳ 2–5 qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Stochastic quantum Krylov protocol with double-factorized Hamiltonians

Here we propose a class of randomized quantum Krylov diagonalization (rQKD) algorithms capable of solving the eigenstate estimation problem with modest quantum resource requirements. Compared to previous real-time evolution quantum Krylov subspace methods, our approach expresses the time evolution operator e –i$\widehat{H}$$\tau$ as a linear combination of unitaries and subsequently uses a stochastic sampling procedure to reduce circuit depth requirements. While our methodology applies to any Hamiltonian with fast-forwardable subcomponents, we focus on its application to the explicitly double-factorized electronic-structure Hamiltonian. To demonstrate the potential of the proposed rQKD algorithm on near-term quantum devices, we provide numerical benchmarks for a variety of molecular systems with circuit-based state-vector simulators including the effects of sampling noise, achieving ground-state energy errors of less than 1 kcal mol -1 with circuit depths orders of magnitude shallower than those required for low-rank deterministic Trotter-Suzuki decompositions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Dijet impact factor in DIS at next-to-leading order in the Color Glass Condensate

In this work, we compute the next-to-leading order impact factor for inclusive dijet production in deeply inelastic electron-nucleus scattering at small x Bj . Our computation, performed in the framework of the Color Glass Condensate effective field theory, includes all real and virtual contributions in the gluon shock wave background of all-twist lightlike Wilson line correlators. We demonstrate explicitly that the rapidity evolution of these correlators, to leading logarithmic accuracy, is described by the JIMWLK Hamiltonian. When combined with the next-to-leading order JIMWLK Hamiltonian, our results for the impact factor improve the accuracy of the inclusive dijet cross-section to \( \mathcal{O} \) ( \( {\alpha}_s^2 \) ln( x f /x Bj )), where x f is a rapidity factorization scale. These results are an essential ingredient in assessing the discovery potential of inclusive dijets to uncover the physics of gluon saturation at the Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Quantum algorithms for disordered physics

We show how a quantum computer may efficiently simulate a disordered Hamiltonian, by incorporating a pseudo-random number generator directly into the time evolution circuit. This technique is applied to quantum simulation of few-body disordered systems in the large volume limit; in particular, Anderson localization. The method requires a number of (error corrected) qubits proportional to the logarithm of the volume of the system, and each time evolution step requires a number of gates polylogarithmic in the volume. We simulate the method to observe the metal-insulator transition on a three-dimensional lattice. Additionally, we demonstrate the algorithm on a one-dimensional lattice, using physical quantum processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Topological protection of coherence in disordered open quantum systems

Here, we consider topological protection mechanisms in dissipative quantum systems in the presence of quenched disorder, with the intent to prolong the coherence time of a fiducial qubit. The qubit is part of a network of other qubits and dissipative cavities whose coupling parameters are tunable, such that topological edge states can be stabilized. The evolution of the fiducial qubit is entirely determined by a non-Hermitian Hamiltonian which thus emerges from a bona fide physical process. Even in the presence of disorder, a winding number W can be defined and evaluated in real space, as long as certain symmetries are preserved. Hence we can construct the topological phase diagrams of noisy open quantum models, such as the non-Hermitian disordered Su-Schrieffer-Heeger dimer model and a trimer model that includes longer-range couplings. For finite-size systems we find that there are precisely W modes localized at one end of the chain. In such topological phases the qubit's coherence lifetime is exponentially large in the system size. In the presence of competing disorder parameters, interesting reentrance phenomena of topologically nontrivial sectors are observed. This means that in certain parameter regions, increasing disorder drastically increases the coherence time of the fiducial qubit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Gapless Floquet topology

Symmetry-protected topological (SPT) phases in insulators and superconductors are known for their robust edge modes, linked to bulk invariants through the bulk-boundary correspondence. While this principle traditionally applies to gapped phases, recent advances have extended it to gapless systems, where topological edge-states persist even in the absence of a bulk gap. We extend this framework to periodically driven chains with chiral symmetry, revealing the existence of topological edge zero and π modes despite the lack of bulk gaps in the quasienergy spectrum. By examining the half-period decomposition of chiral evolutions, we construct topological invariants that circumvent the need to define the Floquet Hamiltonian, making them more suitable for generalization to the gapless regime. We provide explicit examples, including generalizations of the Kitaev chain and related spin models, where localized π modes emerge even when the bulk is gapless at the same quasienergy as the edge modes. Here, we numerically study the effect of interactions, which give a finite lifetime to the edge modes in the thermodynamic limit with the decay rate consistent with Fermi's golden rule.

1-dimensional systems↗
DOE OSTI2026

Quantum simulation of QED in Coulomb gauge

A recent work considered quantum simulation of Quantum Electrodynamics on a lattice in the Coulomb gauge with gauge degrees of freedom represented in the occupation basis in momentum space. In this work, we consider the more efficient representation of the gauge degrees of freedom in field basis in position space and develop a quantum algorithm for real-time simulation. We show that the continuum Coulomb gauge Hamiltonian is equivalent to the temporal gauge Hamiltonian when acting on physical states consisting of fermion and transverse gauge fields. The Coulomb gauge Hamiltonian is discretized by using the Green’s function of the discrete Laplacian operator under the Dirichlet boundary conditions. Both the continuum Coulomb gauge Hamiltonian and the discretized one proposed here guarantee that the unphysical longitudinal gauge fields are decoupled and commute with the corresponding Hamiltonian. Thus there is no need to impose any constraint. The local gauge field basis and the canonically conjugate variable basis are swapped efficiently using the quantum Fourier transform. We prove that the qubit cost to represent physical states and the gate count for real-time simulation scale polynomially with the lattice size, energy, time, accuracy, and Hamiltonian parameters in lattice units. The gate cost here for implementing the time evolution of the gauge field is reduced at least by a factor on the order of 10 8 for modest lattice size and accuracy level compared with the previous work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Hardware-Efficient Quantum Phase Estimation via Local Control

Quantum phase estimation plays a central role in quantum simulation as it enables the study of spectral properties of many-body quantum systems. Most variants of the phase estimation algorithm require the application of the global unitary evolution conditioned on the state of one or more auxiliary qubits, posing a significant challenge for current quantum devices. In this work, we present an approach to quantum phase estimation that uses only locally controlled operations, resulting in a significantly reduced circuit depth. At the heart of our approach are efficient routines to measure the complex phase of the expectation value of the time-evolution operator, the so-called Loschmidt echo, for both circuit dynamics and Hamiltonian dynamics. By tracking changes in the phase during the dynamics, the routines trade circuit depth for increased sampling cost and classical postprocessing. Our approach does not rely on reference states and is applicable to any efficiently preparable state, regardless of its correlations. We provide a comprehensive analysis of the sample complexity and illustrate the results with numerical simulations. Our methods offer a practical pathway for measuring spectral properties in large many-body quantum systems using current quantum devices.

Schiffer, Benjamin F. [Max Planck Institute of Qua↗