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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Further evidence for the EPNT assumption

We recently proved a theorem extending the Greenberger-Horne-Zeilinger (GHZ) Theorem from multi-particle systems to two-particle systems. This proof depended upon an auxiliary assumption, the EPNT assumption (Emptiness of Paths Not Taken). According to this assumption, if there exists an Einstein-Rosen-Podolsky (EPR) element of reality that determines that a path is empty, then there can be no entity associated with the wave that travels this path (pilot-waves, empty waves, etc.) and reports information to the amplitude, when the paths recombine. We produce some further evidence in support of this assumption, which is certainly true in quantum theory. The alternative is that such a pilot-wave theory would have to violate EPR locality.

Greenberger, Daniel M.↗
DOE OSTI2023

Dyson maps and unitary evolution for Maxwell equations in tensor dielectric media

The propagation and scattering of electromagnetic waves in dielectric media is of theoretical and experimental interest in a wide variety of fields. An understanding of observational results generally requires a numerical solution of Maxwell equations—usually implemented on conventional computers using sophisticated numerical algorithms. In recent years, advances in quantum information science and in the development of quantum computers have piqued curiosity about taking advantage of these resources for an alternate numerical approach to Maxwell equations. This requires a reformulation of the classical Maxwell equations into a form suitable for quantum computers which, unlike conventional computers, are limited to unitary operations. In this paper, a unitary framework is developed for the propagation of electromagnetic waves in a spatially inhomogeneous, passive, nondispersive, and anisotropic dielectric medium. For such a medium, generally, the evolution operator in the combined Faraday-Ampere equations is not unitary. There are two steps needed to convert this equation into a unitary evolution equation. In the first step, a weighted Hilbert space is formulated in which the generator of dynamics is a pseudo-Hermitian operator. In the second step, a Dyson map is constructed which maps the weighted-physical-Hilbert space to the original Hilbert space. Furthermore, the resulting evolution equation for the electromagnetic wave fields is unitary. Utilizing the framework developed in these steps, a unitary evolution equation is derived for electromagnetic wave propagation in a uniaxial dielectric medium. The resulting form is suitable for quantum computing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Quantum chaos, integrability, and late times in the Krylov basis

Quantum chaotic systems are conjectured to display a spectrum whose fine-grained features (gaps and correlations) are well described by random matrix theory (RMT). We propose and develop a complementary version of this conjecture: quantum chaotic systems display a Lanczos spectrum whose local means and covariances are well described by RMT. To support this proposal, we first demonstrate its validity in examples of chaotic and integrable systems. We then show that for Haar-random initial states in RMTs the mean and covariance of the Lanczos spectrum suffice to produce the full long-time behavior of general survival probabilities including the spectral form factor, as well as the spread complexity. In addition, for initial states with continuous overlap with energy eigenstates, we analytically find the long-time averages of the probabilities of Krylov basis elements in terms of the mean Lanczos spectrum. This analysis suggests a notion of eigenstate complexity, the statistics of which differentiate integrable systems and classes of quantum chaos. Lastly, we clarify the relation between spread complexity and the universality classes of RMT by exploring various values of the Dyson index and Poisson distributed spectra.

Combinatorics↗
DOE OSTI2026

Vibrational Spin-Orbit Coupling Contributions to Excited State Decay of Ligand-to-Ligand Charge Transfer States

Controlling excited state relaxation processes is important in a variety of photochemical and photophysical processes, including the generation of ground and excited state spin polarization for quantum information science applications. Here, we address how specific static distortions – based on vibrational spin-orbit active modes at C2v symmetry determined by group theory – in a series of low-symmetry ligand-to-ligand charge transfer complexes enable direct spin-orbit coupling contributions to T1 → S0 excited state decay. These results are used to address spin-vibronic coupling contributions to T1 → S0 decay in a high-symmetry (tBu2bpy)Pt(S,S) (tBu2bpy = 4,4’-di-tert-butyl-2,2’-bipyridine and S,S = benzene-1,2-dithiolate) ligand-to-ligand charge transfer complex with effective C2v symmetry, where T1 relaxation is both spin- and orbitally forbidden due to the direct spin-orbit coupling matrix element being zero by symmetry. Low-frequency vibrations that involve a pyridine-pyridine twisting motion within the bpy ligand generate large ∂/∂Qi values that will contribute significantly to T1 → S0 relaxation. The work advances ligand design strategies for the generation of tailored T1 → S0 relaxation rates, which can be utilized to optimize the generation of electron spin polarization in radical-elaborated ligand-to-ligand charge transfer complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Accurate numerical simulations of open quantum systems using spectral tensor trains

Decoherence between qubits is a major bottleneck in quantum computations. Decoherence results from intrinsic quantum and thermal fluctuations as well as noise in the external fields that perform the measurement and preparation processes. With prescribed colored noise spectra for intrinsic and extrinsic noise, we present a numerical method, Quantum Accelerated Stochastic Propagator Evaluation (Q-ASPEN), to solve the time-dependent noise-averaged reduced density matrix in the presence of intrinsic and extrinsic noise. Q-ASPEN is arbitrarily accurate and can be applied to provide estimates for the resources needed to error-correct quantum computations. We employ spectral tensor trains, which combine the advantages of tensor networks and pseudospectral methods, as a variational ansatz to the quantum relaxation problem and optimize the ansatz using methods typically used to train neural networks. Here, the spectral tensor trains in Q-ASPEN make accurate calculations with tens of quantum levels feasible. We present benchmarks for Q-ASPEN on the spin-boson model in the presence of intrinsic noise and on a quantum chain of up to 32 sites in the presence of extrinsic noise. In our benchmark, the memory cost of Q-ASPEN scales as a low-order polynomial in the size of the system once the number of system states surpasses the number of basis functions used in the spectral expansion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A ‘black hole theorem,’ and its implications

A general formulation of the basic conflict of the information problem is given, encapsulated in a 'black hole theorem.' This is framed in a more general context than the usual one of quantum field theory on a background, and is based on describing a black hole as a quantum subsystem of a larger system, including its environment. This sharpens the limited set of possible consistent options; as with the Coleman-Mandula theorem, the most important point is probably the loophole in the 'theorem,' and what this tells us about the fundamental structure of quantum gravity. This 'theorem' in particular involves the general question of how to define quantum subsystems in quantum gravity. If black holes do behave as quantum subsystems, at least to a good approximation, evolve unitarily, and do not leave remnants, the 'theorem' implies the presence of interactions between a black hole and its environment that go beyond a description based on local quantum fields. This provides further motivation for and connects to previous work giving a principled parameterization of these interactions, and investigating their possible observational signatures via electromagnetic or gravitational wave observations of black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Conformal field theories are magical

“Magic” is the degree to which a state cannot be approximated by Clifford gates. We study mana, a measure of magic, in the ground state of the Z 3 Potts model, and argue that it is a broadly useful diagnostic for many-body physics. In particular we find that the q = 3 ground state has large mana at the model's critical point, and that this mana resides in the system's correlations. Here, we explain the form of the mana by a simple tensor-counting calculation based on a MERA representation of the state. Because mana is present at all length scales, we conclude that the conformal field theory describing the three-state Potts model critical point is magical. These results control the difficulty of preparing the Potts ground state on an error-corrected quantum computer and constrain tensor network models of AdS-CFT.

1-dimensional spin chains↗
DOE OSTI2023

Information transmission with continuous variable quantum erasure channels

Quantum capacity, as the key figure of merit for a given quantum channel, upper bounds the channel's ability in transmitting quantum information. Identifying different types of channels, evaluating the corresponding quantum capacity, and finding the capacity-approaching coding scheme are the major tasks in quantum communication theory. Quantum channel in discrete variables has been discussed enormously based on various error models, while error model in the continuous variable channel has been less studied due to the infinite dimensional problem. In this paper, we investigate a general continuous variable quantum erasure channel. By defining an effective subspace of the continuous variable system, we find a continuous variable random coding model. We then derive the quantum capacity of the continuous variable erasure channel in the framework of decoupling theory. The discussion in this paper fills the gap of a quantum erasure channel in continuous variable setting and sheds light on the understanding of other types of continuous variable quantum channels.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Triplet-pair spin signatures from macroscopically aligned heteroacenes in an oriented single crystal

The photo-driven process of singlet fission generates coupled triplet pairs (TT) with fundamentally intriguing and potentially useful properties. The quintet 5 TT 0 sublevel is particularly interesting for quantum information because it is highly entangled, is addressable with microwave pulses, and could be detected using optical techniques. Previous theoretical work on a model Hamiltonian and nonadiabatic transition theory, called the JDE model, has determined that this sublevel can be selectively populated if certain conditions are met. Among the most challenging, the molecules within the dimer undergoing singlet fission must have their principal magnetic axes parallel to one another and to an applied Zeeman field. Here, we present time-resolved electron paramagnetic resonance (TR-EPR) spectroscopy of a single crystal sample of a tetracenethiophene compound featuring arrays of dimers aligned in this manner, which were mounted so that the orientation of the field relative to the molecular axes could be controlled. The observed spin sublevel populations in the paired TT and unpaired (T+T) triplets are consistent with predictions from the JDE model, including preferential 5 TT 0 formation at z ‖ B 0 , with one caveat—two 5 TT spin sublevels have little to no population. This may be due to crossings between the 5 TT and 3 TT manifolds in the field range investigated by TR-EPR, consistent with the intertriplet exchange energy determined by monitoring photoluminescence at varying magnetic fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Landau-level composition of bound exciton states in magnetic field

Here, we present a theory that studies the state composition of a bound exciton in magnetic field. Using a basis set made of products of free electron and hole wave functions in Landau gauge, we derive a secular equation which shows the relation between Landau levels (LLs) of the electron and hole when a bound exciton is formed. Focusing on excitons in the light cone, we establish a scattering selection rule for the interaction of an electron in LL 𝑛 e with a hole in LL 𝑛 h . We solve the resulting secular equation and identify a simple pairing law, 𝑛 e =𝑛 h +𝑙, which informs us on the construction of a bound exciton state with magnetic quantum number 𝑙, and on the interaction of the exciton magnetic moment with magnetic field. We obtain good agreement between theory results and recent measurements of the diamagnetic shifts of exciton states in WSe 2 monolayers.

2-dimensional systems↗
NASA NTRS2002

Computational Thermochemistry of Jet Fuels and Rocket Propellants

The design of new high-energy density molecules as candidates for jet and rocket fuels is an important goal of modern chemical thermodynamics. The NASA Glenn Research Center is home to a database of thermodynamic data for over 2000 compounds related to this goal, in the form of least-squares fits of heat capacities, enthalpies, and entropies as functions of temperature over the range of 300 - 6000 K. The chemical equilibrium with applications (CEA) program written and maintained by researchers at NASA Glenn over the last fifty years, makes use of this database for modeling the performance of potential rocket propellants. During its long history, the NASA Glenn database has been developed based on experimental results and data published in the scientific literature such as the standard JANAF tables. The recent development of efficient computational techniques based on quantum chemical methods provides an alternative source of information for expansion of such databases. For example, it is now possible to model dissociation or combustion reactions of small molecules to high accuracy using techniques such as coupled cluster theory or density functional theory. Unfortunately, the current applicability of reliable computational models is limited to relatively small molecules containing only around a dozen (non-hydrogen) atoms. We propose to extend the applicability of coupled cluster theory- often referred to as the 'gold standard' of quantum chemical methods- to molecules containing 30-50 non-hydrogen atoms. The centerpiece of this work is the concept of local correlation, in which the description of the electron interactions- known as electron correlation effects- are reduced to only their most important localized components. Such an advance has the potential to greatly expand the current reach of computational thermochemistry and thus to have a significant impact on the theoretical study of jet and rocket propellants.

Crawford, T. Daniel↗
DOE OSTI2021

Light by design: emerging frontiers in ultrafast photon sciences and light–matter interactions

Photon sciences and technologies establish the building blocks for myriad scientific and engineering frontiers in life and energy sciences. Because of their overarching functionality, the developmental roadmap and opportunities underpinned by photonics are often semiotically mediated by the delineation of subject areas of application. In this perspective article, we map current and emerging linkages between three intersecting areas of research stewarded by advanced photonics technologies, namely light by design, outlined as (a) quantum and structured photonics, (b) light–matter interactions in accelerators and accelerator-based light sources, and (c) ultrafast sciences and quantum molecular dynamics. In each section, we will concentrate on state-of-the-art achievements and present prospective applications in life sciences, biochemistry, quantum optics and information sciences, and environmental and chemical engineering, all founded on a broad range of photon sources and methodologies. We hope that this interconnected mapping of challenges and opportunities seeds new concepts, theory, and experiments in the advancement of ultrafast photon sciences and light–matter interactions. Additionally, through this mapping, we hope to inspire a critically interdisciplinary approach to the science and applications of light by design.

42 ENGINEERING↗
DOE OSTI2026

Constant Overhead Entanglement Distillation via Scrambling

High-fidelity quantum entanglement enables key quantum networking capabilities such as secure communication and distributed quantum computing, but long-distance entanglement distribution is limited by noise and loss. Entanglement distillation protocols address this problem by extracting high-fidelity Bell pairs from multiple noisy ones. The primary objective is minimizing the resource overhead: the number of noisy input pairs needed to distill each high-fidelity output pair. While protocols achieving optimal overhead are known in theory, they often require complex decoding operations that make practical implementation challenging. We circumvent this challenge by introducing protocols that use quantum scrambling—the spreading of quantum information under chaotic dynamics—through random Clifford operations. Based on this scrambling mechanism, our protocol maintains asymptotically constant overhead, independent of the desired output error rate $\bar{𝜖}$ , and can be implemented with shallow quantum circuits of depth 𝑂⁡(poly log log⁡ $\bar{𝜖}$ −1 ) and memory 𝑂⁡(poly log⁡ $\bar{𝜖}$ −1 ). Our protocol remains effective even with noisy quantum gates. By incorporating error correction, our protocol achieves state-of-the-art performance: starting with pairs of 10% initial infidelity, we require only seven noisy inputs per output pair to distill a single Bell pair with infidelity $\bar{𝜖}$ =10 −12 , substantially outperforming existing schemes. We demonstrate the utility of our protocols for quantum repeater networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Horocycle regulator: Exact cutoff-independence in AdS/CFT

While the entanglement entropy of a single subregion in quantum field theory is formally infinite and requires regularization, certain combinations of entropies are perfectly finite in the limit that the regulator is removed, the mutual information being a common example. For generic regulator schemes, such as a holographic calculation with a uniform radial cutoff, these quantities show nontrivial dependence on the regulator at finite values of the cutoff. We investigate a holographic regularization scheme defined in three-dimensional anti-de Sitter space constructed from , curves in two-dimensional hyperbolic space perpendicular to all geodesics approaching a single point on the boundary, that leads to finite information measures that are cutoff independent, even at finite values of the regulator. We describe a broad class of such information measures, and describe how the field theory dual to the horocycle regulator is inherently nonlocal. Published by the American Physical Society 2024

Agrawal, Sristy↗
DOE OSTI2022

Misanthropic entropy and renormalization as a communication channel

A central physical question is the extent to which infrared (IR) observations are sufficient to reconstruct a candidate ultraviolet (UV) completion. We recast this question as a problem of communication, with messages encoded in field configurations of the UV being transmitted to the IR degrees of freedom via a noisy channel specified by renormalization group (RG) flow, with noise generated by coarse graining/decimation. We present an explicit formulation of these considerations in terms of lattice field theory, where we show that the “misanthropic entropy” — the mutual information obtained from decimating neighbors — encodes the extent to which information is lost in marginalizing over/tracing out UV degrees of freedom. Our considerations apply both to statistical field theories as well as density matrix renormalization of quantum systems, where in the quantum case, the statistical field theory analysis amounts to a leading-order approximation. As a concrete example, we focus on the case of the 2D Ising model, where we show that the misanthropic entropy detects the onset of the phase transition at the Ising model critical point.

Physics↗
DOE OSTI2021

Elucidating the local atomic and electronic structure of amorphous oxidized superconducting niobium films

Qubits made from superconducting materials are a mature platform for quantum information science application, such as quantum computing. However, material-based losses are now a limiting factor in reaching the coherence times needed for applications. In particular, knowledge of the atomistic structure and properties of the circuit materials is needed to identify, understand, and mitigate material-based decoherence channels. Here, we characterize the atomic structure of the native oxide film formed on Nb resonators by comparing fluctuation electron microscopy experiments to density functional theory calculations, finding that an amorphous layer is consistent with an Nb 2 O 5 stoichiometry. Comparing x-ray absorption measurements at the Oxygen K edge with first-principles calculations, we find evidence of d-type magnetic impurities in our sample, known to cause impedance in proximal superconductors. This work identifies the structural and chemical composition of the oxide layer grown on Nb superconductors and shows that soft x-ray absorption can fingerprint magnetic impurities in these superconducting systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Systematically localizable operators for quantum simulations of quantum field theories

Correlations and measures of entanglement in ground-state wave functions of relativistic quantum field theories are spatially localized over length scales set by the mass of the field. We utilize this localization to design digital quantum circuits for preparing the ground states of lattice scalar quantum field theories. Controlled rotations that are exponentially localized in their position-space extent are found to provide exponentially convergent wave function fidelity. These angles scale with the correlation between sites and the classical two-point correlation function, as opposed to the more localized mutual information or the hyperlocalized (1×1)-site negativity. We anticipate that further investigations will uncover quantum circuit designs with controlled rotations dictated by the measures of entanglement. This work is expected to impact quantum simulations of systems of importance to nuclear physics, high-energy physics, and basic energy sciences research.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Holographic Space-Time and Quantum Information

The formalism of Holographic Space-time (HST) is a translation of the principles of Lorentzian geometry into the language of quantum information. Intervals along time-like trajectories, and their associated causal diamonds, completely characterize a Lorentzian geometry. The Bekenstein-Hawking-Gibbons-’t Hooft-Jacobson-Fischler-Susskind-Bousso Covariant Entropy Principle, equates the logarithm of the dimension of the Hilbert space associated with a diamond to one quarter of the area of the diamond’s holographic screen, measured in Planck units. The most convincing argument for this principle is Jacobson’s derivation of Einstein’s equations as the hydrodynamic expression of this entropy law. In that context, the null energy condition (NEC) is seen to be the analog of the local law of entropy increase. The quantum version of Einstein’s relativity principle is a set of constraints on the mutual quantum information shared by causal diamonds along different time-like trajectories. The implementation of this constraint for trajectories in relative motion is the greatest unsolved problem in HST. The other key feature of HST is its claim that, for non-negative cosmological constant or causal diamonds much smaller than the asymptotic radius of curvature for negative c.c., the degrees of freedom localized in the bulk of a diamond are constrained states of variables defined on the holographic screen. This principle gives a simple explanation of otherwise puzzling features of BH entropy formulae, and resolves the firewall problem for black holes in Minkowski space. It motivates a covariant version of the CKN [1] bound on the regime of validity of quantum field theory (QFT) and a detailed picture of the way in which QFT emerges as an approximation to the exact theory

tensor network↗