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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 OSTI2025

Dynamical Complexity of Non-Gaussian Many-Body Systems with Dissipation

We characterize the dynamical state of many-body bosonic and fermionic many-body models with intersite Gaussian couplings, on-site non-Gaussian interactions, and local dissipation comprising incoherent particle loss, particle gain, and dephasing. We first establish that, for fermionic systems, if the dephasing noise is larger than the non-Gaussian interactions, irrespective of the Gaussian coupling strength, the system state is a convex combination of Gaussian states at all times. Furthermore, for bosonic systems, we show that if the particle loss and particle gain rates are larger than the Gaussian intersite couplings, the system remains in a separable state at all times. Building on this characterization, we establish that at noise rates above a threshold, there exists a classical algorithm that can efficiently sample from the system state of both the fermionic and bosonic models. Finally, we show that, unlike fermionic systems, bosonic systems can evolve into states that are not convex Gaussian even when the dissipation is much higher than the on-site non-Gaussianity. Similarly, unlike bosonic systems, fermionic systems can generate entanglement even with noise rates much larger than the intersite couplings.

Computational complexity↗
DOE OSTI2022

Many-body theory of phonon-induced spin relaxation and decoherence

First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit interaction causes various dynamical phenomena that couple with phonons, such as spin precession and spin-flip e-ph scattering, which are difficult to describe with current first-principles calculations. Here, in this work, we show a rigorous framework to study phonon-induced spin relaxation and decoherence, by computing the spin-spin correlation function and its vertex corrections due to e-ph interactions. We apply this approach to a model system and develop corresponding first-principles calculations of spin relaxation in GaAs. Our vertex-correction formalism is shown to capture the Elliott-Yafet, Dyakonov-Perel, and strong-precession mechanisms—three independent spin decoherence regimes with distinct physical origins—thereby unifying their theoretical treatment and calculation. Our method is general and enables quantitative studies of spin relaxation, decoherence, and transport in a wide range of materials and devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Cross-correlation spectra in interacting quantum dot systems

Two-color spin-noise spectroscopy of interacting electron spins in singly charged semiconductor quantum dots provides information on the interquantum dot interactions. We investigate the spin cross-correlation function in a quantum dot ensemble employing a modified semiclassical approach. Spin-correlation functions are calculated using a Hamilton quaternion approach that maintains local quantum mechanical properties of the spins. This method takes into account the effects of the nuclear-electric quadrupolar interactions, the randomness of the coupling constants, and the variation of the electron g factor on the spin-noise power spectra. We demonstrate that the quantum dot ensemble can be mapped on an effective two-quantum dot problem and discuss how the characteristic length scale of the interdot interaction modifies the low-frequency cross-correlation spectrum. Here, we argue that details on the interaction strength distribution can be extracted from the cross-correlation spectrum when applying a longitudinal or a transversal external magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Mitigating Scattering in a Quantum System Using Only an Integrating Sphere

Strong quantum correlated sources are essential but delicate resources for quantum information science and engineering protocols. Decoherence and loss are the two main disruptive processes that lead to the loss of nonclassical behavior in quantum correlations. In quantum systems, scattering can contribute to both decoherence and loss. In this work, we present an experimental scheme capable of significantly mitigating the adverse impact of scattering in quantum systems. Our quantum system is composed of a two-mode squeezed light generated with the four-wave-mixing process in hot rubidium vapor and a scatterer is introduced to one of the two modes. An integrating sphere is then placed after the scatterer to recollect the scattered photons. We use mutual information between the two modes as the measure of quantum correlations and demonstrate a 47.5% mutual information recovery from scattering, despite an enormous photon loss of greater than 85%. Our scheme is the very first step toward recovering quantum correlations from disruptive random processes and thus has the potential to bridge the gap between proof-of-principle demonstrations and practical real-world implementations of quantum protocols. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Rapid Quantum Ground State Preparation via Dissipative Dynamics

Inspired by natural cooling processes, dissipation has become a promising approach for preparing low-energy states of quantum systems. However, the potential of dissipative protocols remains unclear beyond certain commuting Hamiltonians. This work provides significant analytical and numerical insights into the power of dissipation for preparing the ground state of noncommuting Hamiltonians. For quasi-free dissipative dynamics, including certain 1D spin systems with boundary dissipation, our results reveal a new connection between the mixing time in trace distance and the spectral properties of a non-Hermitian Hamiltonian, leading to an explicit and sharp bound on the mixing time that scales polynomially with system size. For more general spin systems, we develop a tensor network-based algorithm for constructing the Lindblad jump operator and for simulating the dynamics. Using this algorithm, we demonstrate numerically that dissipative ground state preparation protocols can achieve rapid mixing for certain 1D local Hamiltonians under bulk dissipation, with a mixing time that scales logarithmically with the system size. We then prove the rapid mixing result for certain weakly interacting spin and fermionic systems in arbitrary dimensions, extending recent results for high-temperature quantum Gibbs samplers to the zero-temperature regime. Together, these results show that dissipation can be a powerful tool for ground state preparation, with potential applications across condensed matter physics, quantum materials science, and beyond.

decoherence↗
DOE OSTI2025

Qudit Dynamical Decoupling on a Superconducting Quantum Processor

Multilevel qudit systems are increasingly being explored as alternatives to traditional qubit systems due to their denser information storage and processing potential. However, qudits are more susceptible to decoherence than qubits due to increased loss channels, noise sensitivity, and crosstalk. To address these challenges, we develop protocols for dynamical decoupling (DD) of qudit systems based on the Heisenberg-Weyl group. We implement and experimentally verify these DD protocols on a superconducting transmon processor that supports qudit operation based on qutrits (d = 3) and ququarts (d = 4). Specifically, we demonstrate single-qudit DD sequences to decouple qutrits and ququarts from system-bath-induced decoherence. Here we also introduce two-qudit DD sequences designed to suppress the detrimental cross-Kerr couplings between coupled qudits. This allows us to demonstrate a significant improvement in the fidelity of time-evolved qutrit Bell states. Our results highlight the utility of leveraging DD to enable scalable qudit-based quantum computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Fundamental limitations on photoisomerization from thermodynamic resource theories

Small, out-of-equilibrium, and quantum systems defy simple thermodynamic expressions. Such systems are exemplified by molecular switches, which exchange heat with a bath. These molecules can photoisomerize, or change conformation, or switch, on absorbing light. The photoisomerization probability depends on kinetic details that couple the molecule’s energetics to its dissipation. Therefore, a simple, general, thermodynamic-style bound on the photoisomerization probability seems out of reach. We derive such a bound using a resource theory. The resource-theory framework is a set of mathematical tools, developed in quantum information theory, used to generalize thermodynamics to small and quantum settings. From this toolkit has been derived a generalization of the second law, the thermomajorization preorder. We use thermomajorization to upper-bound the photoisomerization probability. Then, we compare the bound with an equilibrium prediction and with a Lindbladian model. We identify a realistic parameter regime in which the Lindbladian evolution saturates the thermomajorization bound. We also quantify the energy coherence in the electronic degree of freedom, and we argue that this coherence cannot promote photoisomerization. Overall, this work illustrates how quantum-information-theoretic thermodynamics can elucidate complex quantum processes in nature, experiments, and synthetics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Lindblad many-body scars

Quantum many-body scars have received much recent attention for being both intriguing nonergodic states in otherwise quantum chaotic systems and promising candidates to encode quantum information efficiently. So far, these studies have mostly been restricted to Hermitian systems. Here, we study many-body scars in many-body quantum chaotic systems coupled to a Markovian bath, which we term Lindblad many-body scars. They are defined as simultaneous eigenvectors of the Hamiltonian and dissipative parts of the vectorized Liouvillian. Importantly, because their eigenvalues are purely real, they are not related to revivals. The number and nature of the scars depend on both the symmetry of the Hamiltonian and the choice of jump operators. For a dissipative four-body Sachdev-Ye-Kitaev (SYK) model with 𝑁 fermions, either Majorana or complex, we construct analytically some of these Lindblad scars while others could only be obtained numerically. As an example of the former, we identify 𝑁/2+1 scars for complex fermions due to the 𝑈⁡(1) symmetry of the model and two scars for Majorana fermions as a consequence of the parity symmetry. Similar results are obtained for a dissipative XXZ spin chain. We also characterize the physical properties of Lindblad scars. First, the operator size is independent of the disorder realization and has a vanishing variance. By contrast, the operator size for nonscarred states, believed to be quantum chaotic, is well described by a distribution centered around a specific size and a finite variance, which could be relevant for a precise definition of the eigenstate thermalization hypothesis in dissipative quantum chaos. Moreover, the entanglement entropy of these scars has distinct features such as a strong dependence on the partition choice and, in certain cases, a large entanglement.

Eigenstate thermalization↗
DOE OSTI2025

Surface and bulk two-level-system losses in lithium niobate acoustic resonators

Lithium niobate (LN) is a promising material for building acoustic resonators used in quantum applications, but its performance is limited by poorly understood material defects called two-level systems (TLSs). Here, in this work, we fabricate high-performance acoustic resonators from LN with quality factors up to 6 ×10 7 and use them to separate bulk and surface contributions to TLS loss. By comparing these bulk acoustic wave (BAW) resonators with previous surface-acoustic-wave and phononic-crystal studies, we show that devices with high surface-participation ratios are limited by surface TLSs, while our BAW devices reveal an intrinsic bulk TLS limit. Through systematic surface treatments and microscopy, we demonstrate that BAW resonator performance remains unchanged despite surface modifications, confirming operation in a bulk-limited regime. Here, our work establishes quantitative bounds on both surface and bulk TLS losses in LN within the context of the material growth and fabrication approaches we have pursued, and it provides guidance for future device engineering and materials development.

acoustic wave phenomena↗
DOE OSTI2021

QTRAJ 1.0: A Lindblad equation solver for heavy-quarkonium dynamics

Here we introduce an open-source package called QTraj that solves the Lindblad equation for heavy-quarkonium dynamics using the quantum trajectories algorithm. The package allows users to simulate the suppression of heavy-quarkonium states using externally-supplied input from 3+1D hydrodynamics simulations. The code uses a split-step pseudo-spectral method for updating the wave-function between jumps, which is implemented using the open-source multi-threaded FFTW3 package. This allows one to have manifestly unitary evolution when using real-valued potentials. In this paper, we provide detailed documentation of QTraj 1.0, installation instructions, and present various tests and benchmarks of the code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Conductivity and size quantization effects in semiconductor $$\delta$$-layer systems

Abstract We present an open-system quantum-mechanical 3D real-space study of the conduction band structure and conductive properties of two semiconductor systems, interesting for their beyond-Moore and quantum computing applications: phosphorus $$\delta$$ δ -layers and P $$\delta$$ δ -layer tunnel junctions in silicon. In order to evaluate size quantization effects on the conductivity, we consider two principal cases: nanoscale finite-width structures, used in transistors, and infinitely-wide structures, electrical properties of which are typically known experimentally. For devices widths $$W<10$$ W < 10 nm, quantization effects are strong and it is shown that the number of propagating modes determines not only the conductivity, but the distinctive spatial distribution of the current-carrying electron states. For $$W>10$$ W > 10 nm, the quantization effects practically vanish and the conductivity tends to the infinitely-wide device values. For tunnel junctions, two distinct conductivity regimes are predicted due to the strong conduction band quantization.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Theory of molecular emission power spectra. I. Macroscopic quantum electrodynamics formalism

In this work, we study the emission power spectrum of a molecular emitter with multiple vibrational modes in the framework of macroscopic quantum electrodynamics. The theory we present is general for a molecular spontaneous emission spectrum in the presence of arbitrary inhomogeneous, dispersive, and absorbing media. Moreover, the theory shows that the molecular emission power spectra can be decomposed into the electromagnetic environment factor and lineshape function. In order to demonstrate the validity of the theory, we investigate the lineshape function in two limits. In the incoherent limit (single molecules in a vacuum), the lineshape function exactly corresponds to the Franck–Condon principle. In the coherent limit (single molecules strongly coupled with single polaritons or photons) together with the condition of high vibrational frequency, the lineshape function exhibits a Rabi splitting, the spacing of which is exactly the same as the magnitude of exciton–photon coupling estimated by our previous theory [S. Wang et al., J. Chem. Phys. 151, 014105 (2019)]. Finally, we explore the influence of exciton–photon and electron–phonon interactions on the lineshape function of a single molecule in a cavity. The theory shows that the vibronic structure of the lineshape function does not always disappear as the exciton–photon coupling increases, and it is related to the loss of a dielectric environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach

Here, we describe a method for simulating exciton dynamics in protein–pigment complexes, including effects from charge transfer as well as fluorescence. The method combines the hierarchical equations of motion, which are used to describe quantum dynamics of excitons, and the Nakajima–Zwanzig quantum master equation, which is used to describe slower charge transfer processes. We study the charge transfer quenching in light harvesting complex II, a protein postulated to control non-photochemical quenching in many plant species. Using our hybrid approach, we find good agreement between our calculation and experimental measurements of the excitation lifetime. Furthermore, our calculations reveal that the exciton energy funnel plays an important role in determining quenching efficiency, a conclusion we expect to extend to other proteins that perform protective excitation quenching. This also highlights the need for simulation methods that properly account for the interplay of exciton dynamics and charge transfer processes.

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

On the discretization error of the discrete generalized quantum master equation

The transfer tensor method (TTM) [Cerrillo and Cao, Phys. Rev. Lett. 112 , 110401 (2014)] can be considered a discrete-time formulation of the Nakajima–Zwanzig quantum master equation (NZ-QME) for modeling non-Markovian quantum dynamics. A recent paper [Makri, J. Chem. Theory Comput. 21 , 5037 (2025)] raised concerns regarding the consistency of the TTM discretization, particularly a spurious term at the initial time t = 0. Here, this work presents a detailed analysis of the discretization structure of the TTM, clarifying the origin of the initial-time correction and establishing a consistent relationship between the TTM discrete-time memory kernel K N and the continuous-time NZ-QME kernel $\mathscr{K}$( N Δ t ). This relationship is validated numerically using the spin-boson model, demonstrating convergence of reconstructed memory kernels and accurate dynamical evolution as Δ t → 0. While the TTM provides a consistent discretization, we note that alternative schemes are also viable, such as the midpoint derivative/midpoint integral scheme proposed in Makri’s work. The relative performance of various schemes for either computing accurate $\mathscr{K}$( N Δ t ) from exact dynamics or obtaining accurate dynamics from exact $\mathscr{K}$( N Δ t ) warrants further investigation.

Density-matrix↗
DOE OSTI2025

The lessons learned from ephemeral nuclei

Recent experimental analyses of fleeting clusters of protons and neutrons put the very notion of the atomic nucleus in a new light.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Decay of the proton-unbound superradiant state in 13 N

Here, the 12 C ( 3 He, 𝑑)⁢ 13 N* reaction is studied in an experiment with a high-resolution magnetic spectrograph, in coincidence with protons detected in silicon detectors near the target. This allows for the observation of angular correlation patterns between the proton transfer and proton decays from populated unbound resonances. A formalism describing the spin polarization of direct reactions is developed to analyze these correlations, and is verified on the known directionally asymmetric decay distributions arising from parity mixing in the 13 N ⁡($\frac{3}{2}$ − , $\frac{5}{2}$ + ) doublet. The same formalism is used to study the decays from the continuum-aligned, broad 3/2 + resonance at 7.9 MeV excitation energy, which arises from superradiant coupling. The observed asymmetric angular correlation patterns are approximately reproduced by adding an “artificial” 3/2 − resonance with strength equal to that of the reaction formalism. This parity-mixing approach serves as a first approximation to a more advanced reaction model of rapid reaction and decay sequences.

13N↗
DOE OSTI2026

JIMWLK on a quantum computer

We propose a method for solving the Jalilian-Marian-Iancu-McLerran-Weigert-Leonidov-Kovner (JIMWLK) evolution equation on quantum computers. Our approach exploits the reformulation of the JIMWLK equation as a Lindblad master equation governing the rapidity evolution of the hadronic density matrix, as established in prior work. To render the problem tractable for quantum simulation, we introduce several approximations: the two-dimensional transverse plane is reduced to a one-dimensional radial lattice by assuming azimuthal symmetry of the jump operators; the gauge group is restricted to SU(2); and the infinite Wilson lines of the JIMWLK equation are replaced by finite Wilson links along the light-cone direction. The resulting bosonic Hilbert space is truncated using the electric field basis familiar from Hamiltonian lattice gauge theory, with states restricted to angular momenta 𝑗 ≤ 𝑗 max . We derive the matrix elements of the JIMWLK Lindblad jump operators in this basis. As a benchmark, we demonstrate rapid convergence of the fundamental dipole expectation value with 𝑗 max for both pure and mixed Gaussian initial density matrices. For the simplest truncation, 𝑗 max =1/2, we implement the Lindblad evolution using a quantum simulation algorithm verified with the Qiskit statevector simulator by decomposing the non-unitary evolution operator into a linear combination of unitaries. This work establishes a concrete pathway toward quantum simulation of high-energy quantum chromodynamics evolution equations, with direct relevance to the physics program of the Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Generalized geometric speed limits for quantum observables

Leveraging quantum information geometry, we derive generalized quantum speed limits on the rate of change of the expectation values of observables. These bounds subsume and, for Hilbert space dimension ≥3, tighten existing bounds—in some cases by an arbitrarily large multiplicative constant. Our theoretical results are supported by illustrative examples and an experimental demonstration using a superconducting qutrit. We also derive two upper bounds on the generalized quantum Fisher information in terms of the condition number of the density matrix. One of these bounds applies only to coherent dynamics and depends also on the variance of the Hamiltonian. The other bound depends also on the so-called Wigner-Yanase skew information. These bounds generalize well-known bounds on the symmetric logarithmic derivative quantum Fisher information and are tighter than the existing bounds for sufficiently mixed states (e.g., for sufficiently high temperature thermal states).

open quantum systems & decoherence↗