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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Magnetic excitations, nonclassicality, and quantum wake spin dynamics in the Hubbard chain

Recent work has demonstrated that quantum Fisher information (QFI), a witness of multipartite entanglement, and magnetic Van Hove correlations G(r,t), a probe of local real-space real-time spin dynamics, can be successfully extracted from inelastic neutron scattering on spin systems through accurate measurements of the dynamical spin structure factor S(k,ω). In this work, we apply theoretically these ideas to the half-filled Hubbard chain with nearest-neighbor hopping, away from the strong-coupling limit. This model has nontrivial redistribution of spectral weight in S(k,ω) going from the noninteracting limit (U = 0) to strong coupling (U→∞), where it reduces to the Heisenberg quantum spin chain. We use the density matrix renormalization group to find S(k,ω), from which QFI is then calculated. We find that QFI grows with U. With realistic energy resolution it becomes capable of witnessing bipartite entanglement above U=2.5 (in units of the hopping), where it also changes slope. This point is also proximate to slope changes of the bandwidth W(U) and the half-chain von Neumann entanglement entropy. We compute G(r,t) by Fourier transforming S(k,ω). The results indicate a crossover in the short-time short-distance dynamics at low U characterized by ferromagnetic light-cone wavefronts, to a Heisenberg-type behavior at large U featuring antiferromagnetic light cones and spatially period-doubled antiferromagnetism. We find this crossover has largely been completed by U=3. Our results thus provide evidence that, in several aspects, the strong-coupling limit of the Hubbard chain is reached qualitatively already at a relatively modest interaction strength. We discuss experimental candidates for observing the G(r,t) dynamics found at low U.

1-dimensional systems↗
DOE OSTI2024

Exponential concentration in quantum kernel methods

Kernel methods in Quantum Machine Learning (QML) have recently gained significant attention as a potential candidate for achieving a quantum advantage in data analysis. Among other attractive properties, when training a kernel-based model one is guaranteed to find the optimal model’s parameters due to the convexity of the training landscape. However, this is based on the assumption that the quantum kernel can be efficiently obtained from quantum hardware. In this work we study the performance of quantum kernel models from the perspective of the resources needed to accurately estimate kernel values. We show that, under certain conditions, values of quantum kernels over different input data can be exponentially concentrated (in the number of qubits) towards some fixed value. Thus on training with a polynomial number of measurements, one ends up with a trivial model where the predictions on unseen inputs are independent of the input data. We identify four sources that can lead to concentration including expressivity of data embedding, global measurements, entanglement and noise. For each source, an associated concentration bound of quantum kernels is analytically derived. Lastly, we show that when dealing with classical data, training a parametrized data embedding with a kernel alignment method is also susceptible to exponential concentration. Our results are verified through numerical simulations for several QML tasks. Altogether, we provide guidelines indicating that certain features should be avoided to ensure the efficient evaluation of quantum kernels and so the performance of quantum kernel methods.

97 MATHEMATICS AND COMPUTING↗
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↗
DOE OSTI2024

Quantum Multiple Eigenvalue Gaussian filtered Search: an efficient and versatile quantum phase estimation method

Quantum phase estimation is one of the most powerful quantum primitives. This work proposes a new approach for the problem of multiple eigenvalue estimation: Quantum Multiple Eigenvalue Gaussian filtered Search (QMEGS). QMEGS leverages the Hadamard test circuit structure and only requires simple classical postprocessing. QMEGS is the first algorithm to simultaneously satisfy the following two properties: (1) It can achieve the Heisenberg-limited scaling without relying on any spectral gap assumption. (2) With a positive energy gap and additional assumptions on the initial state, QMEGS can estimate all dominant eigenvalues to ϵ accuracy utilizing a significantly reduced circuit depth compared to the standard quantum phase estimation algorithm. In the most favorable scenario, the maximal runtime can be reduced to as low as log(1/ϵ). This implies that QMEGS serves as an efficient and versatile approach, achieving the best-known results for both gapped and gapless systems. Numerical results validate the efficiency of our proposed algorithm in various regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Exploration of Optimizing FPGA-based Qubit Controller for Experiments on Superconducting Quantum Computing Hardware

This work explores avenues and target areas for optimizing FPGA-based control hardware for experiments conducted on superconducting quantum computing systems and serves as an introduction to some of the current research at the intersection of classical and quantum computing hardware. With the promise of building larger-scale error-corrected quantum computers based on superconducting qubit architecture, innovations to room-temperature control electronics are needed to bring these quantum realizations to fruition. The QICK (Quantum Instrumentation Control Kit) is one leading experimental FPGA-based implementations. However, its integration into other experimental quantum computing architectures, especially those using superconducting radiofrequency (SRF) cavities, is largely unexplored. We identify some key target areas for optimizing control electronics for superconducting qubit architectures and provide some preliminary results to the resolution of a control pulse waveform. With optimizations targeted at 3D superconducting qubit setups, we hope to bring to light some of the requirements in classical computational methodologies to bring out the full potential of this quantum computing architecture, and to convey the excitement of progress in this research.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Molecular dynamics on quantum annealers

Abstract In this work we demonstrate a practical prospect of using quantum annealers for simulation of molecular dynamics. A methodology developed for this goal, dubbed Quantum Differential Equations (QDE), is applied to propagate classical trajectories for the vibration of the hydrogen molecule in several regimes: nearly harmonic, highly anharmonic, and dissociative motion. The results obtained using the D-Wave 2000Q quantum annealer are all consistent and quickly converge to the analytical reference solution. Several alternative strategies for such calculations are explored and it was found that the most accurate results and the best efficiency are obtained by combining the quantum annealer with classical post-processing (greedy algorithm). Importantly, the QDE framework developed here is entirely general and can be applied to solve any system of first-order ordinary nonlinear differential equations using a quantum annealer.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Calculation of electron-ion temperature equilibration rates and friction coefficients in plasmas and liquid metals using quantum molecular dynamics

In this work, we discuss a method to calculate with quantum molecular dynamics simulations the rate of energy exchanges between electrons and ions in two-temperature plasmas, liquid metals, and hot solids. Promising results from this method were recently reported for various materials and physical conditions. Like other ab initio calculations, the approach offers a very useful comparison with the experimental measurements and permits an extension into conditions not covered by the experiments. The energy relaxation rate is related to the friction coefficients felt by individual ions due to their nonadiabatic interactions with electrons. Each coefficient satisfies a Kubo relation given by the time integral of the autocorrelation function of the interaction force between an ion and the electrons. These Kubo relations are evaluated using the output of quantum molecular dynamics calculations in which electrons are treated in the framework of finite-temperature density functional theory. The calculation presents difficulties that are unlike those encountered with the Kubo formulas for the electrical and thermal conductivities. In particular, the widely used Kubo-Greenwood approximation is inapplicable here. Indeed, the friction coefficients and the energy relaxation rate diverge in this approximation since it does not properly account for the electronic screening of electron-ion interactions. The inclusion of screening effects considerably complicates the calculations. We discuss the physically motivated approximations we applied to deal with these complications in order to investigate a widest range of materials and physical conditions. Unlike the standard method used for the electronic conductivities, the Kubo formulas are evaluated directly in the time domain and not in the energy domain, which spares one from needing to introduce an extraneous undetermined numerical parameter to account for the discrete character of the numerical density of states. We highlight interesting properties of the energy relaxation rate not shared by other electronic properties, in particular its self-averaging character. We then present a detailed parametric and convergence study with the numerical parameters, including the system size, the number of bands and k-points, and the physical approximations for the dielectric function and the exchange-correlation energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Spinon mediation of witness spin dynamics in herbertsmithite

The kagome lattice of spin-1/2 copper atoms in herbertsmithite is conjectured to sustain a quantum spin liquid state with spinon quasiparticles. Ideally, the kagome crystal planes are each separated by a plane of spinless zinc atoms. However, in real crystals, some spin-1/2 copper atoms substitute randomly onto these inter-kagome zinc sites. Here we reconceptualize such ‘impurity’ atoms as quantum witness spins whose dynamics is designed to probe the spin liquid state. We then introduce spin noise spectroscopy to measure the frequency and temperature dependence of witness spin dynamics, demonstrating that their phenomenology is consistent with extensive interactions between witness spins mediated by propagation of spinons through a quantum spin liquid. Ultimately, a sharp transition occurs at around 260 mK, below which the properties of both spin noise and magnetic susceptibility suggest that the witness spins form a spin glass phase. Among the theoretical models considered, we demonstrate that our observations are only consistent with spinon-mediated interactions between witness spins by either a Z 2 or U(1) quantum spin liquid, with the former model more closely matching the data. Our work demonstrates that quantum mechanical witness spins may now conceivably be used as a widely applicable probe of quantum spin liquid physics.

Takahashi, Hiroto [University of Oxford (United Ki↗
DOE OSTI2025

Quantum simulations of nuclear resonances with variational methods

Background: The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices. Purpose: This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator. Methods: We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform 𝜃-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray code (GC) encoding to reduce qubit requirements. Results: We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic 𝛼−𝛼 nuclear potential and compute the 𝐷- and 𝐺-wave resonance energies with a basis size of 𝑁=16, using only four qubits. The quantum simulation results closely match the classical values, demonstrating the feasibility of our approach. Conclusions: This study demonstrates, for the first time, that the complete 𝜃-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems and lays the foundation for future investigations into resonance structures in nuclear, atomic, and molecular physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Simulators for quantum network modeling: A comprehensive review

Quantum network research is exploring new networking protocols, physics-based hardware and novel experiments to demonstrate how quantum distribution will work over large distances. Current work explores much of these concepts in simulations, that are developed to understand how quantum networking will be set up and researchers can experiment virtually. Exposing flaws in network designs, like unsustainable topologies, or develop protocols that efficiently utilize network resources, simulators can also help assess whether workloads are balanced across virtual machines in the network. However, much of these simulation models come without reliable verification methods, for testing performance in real deployments. Here, in this paper, we present a review of, to the best of our knowledge, currently used toolkits for modeling quantum networks. With these toolkits and standardized validation techniques, we can lay down the foundations for more accurate and reliable quantum network simulators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Two-dimensional coherent spectrum of high-spin models via a quantum computing approach

Here in this work we present and benchmark a quantum computing approach to calculate the two-dimensional coherent spectrum (2DCS) of high-spin models. Our approach is based on simulating their real-time dynamics in the presence of several magnetic field pulses, which are spaced in time. We utilize the adaptive variational quantum dynamics simulation algorithm for the study due to its compact circuits, which enables simulations over sufficiently long times to achieve the required resolution in frequency space. Specifically, we consider an antiferromagnetic quantum spin model that incorporates Dzyaloshinskii-Moriya interactions and single-ion anisotropy. The obtained 2DCS spectra exhibit distinct peaks at multiples of the magnon frequency, arising from transitions between different eigenstates of the unperturbed Hamiltonian. By comparing the one-dimensional coherent spectrum with 2DCS, we demonstrate that 2DCS provides a higher resolution of the energy spectrum. We further investigate how the quantum resources scale with the magnitude of the spin using two different binary encodings of the high-spin operators: the standard binary encoding and the Gray code. At low magnetic fields both encodings require comparable quantum resources, but at larger field strengths the Gray code is advantageous. Numerical simulations for spin models with increasing number of sites indicate a polynomial system-size scaling for quantum resources. Lastly, we compare the numerical 2DCS with experimental results on a rare-earth orthoferrite system. The observed strength of the magnonic high-harmonic generation signals in the 2DCS of the quantum high-spin model aligns well with the experimental data, showing significant improvement over the corresponding mean-field results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Quantum Machine Learning with SQUID

In this work we present the Scaled QUantum IDentifier (SQUID), an open-source framework for exploring hybrid Quantum-Classical algorithms for classification problems. The classical infrastructure is based on PyTorch and we provide a standardized design to implement a variety of quantum models with the capability of back-propagation for efficient training. We present the structure of our framework and provide examples of using SQUID in a standard binary classification problem from the popular MNIST dataset. In particular, we highlight the implications for scalability for gradient-based optimization of quantum models on the choice of output for variational quantum models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Convex Optimization for Nonequilibrium Steady States on a Hybrid Quantum Processor

Finding the transient and steady state properties of open quantum systems is a central problem in various fields of quantum technologies. Here, in this work, we present a quantum-assisted algorithm to determine the steady states of open system dynamics. By reformulating the problem of finding the fixed point of Lindblad dynamics as a feasibility semidefinite program, we bypass several well-known issues with variational quantum approaches to solving for steady states. We demonstrate that our hybrid approach allows us to estimate the steady states of higher dimensional open quantum systems and discuss how our method can find multiple steady states for systems with symmetries.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Quantum signatures in nonlinear gravitational waves

The effective quantum field theory description of gravity, despite its non-renormalizability, allows for predictions beyond classical general relativity. As we enter the age of gravitational wave astronomy, an important and timely question is whether measurable quantum predictions that depart from classical gravity, analogous to quantum optics effects which cannot be explained by classical electrodynamics, can be found. In this work, we investigate quantum signatures in gravitational waves using tools from quantum optics. Squeezed-coherent gravitational waves, which can exhibit sub-Poissonian graviton statistics, can enhance or suppress the signal measured by an interferometer, a characteristic effect of quantum squeezing. Moreover, we show that Gaussian gravitational wave quantum states can be reconstructed from measurements over an ensemble of optical fields interacting with a single copy of the gravitational wave, thus opening the possibility of detecting quantum features of gravity beyond classical general relativity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Efficient learning of t -doped stabilizer states with single-copy measurements

One of the primary objectives in the field of quantum state learning is to develop algorithms that are time-efficient for learning states generated from quantum circuits. Earlier investigations have demonstrated time-efficient algorithms for states generated from Clifford circuits with at most log ⁡ ( n ) non-Clifford gates. However, these algorithms necessitate multi-copy measurements, posing implementation challenges in the near term due to the requisite quantum memory. On the contrary, using solely single-qubit measurements in the computational basis is insufficient in learning even the output distribution of a Clifford circuit with one additional T gate under reasonable post-quantum cryptographic assumptions. In this work, we introduce an efficient quantum algorithm that employs only nonadaptive single-copy measurement to learn states produced by Clifford circuits with a maximum of O ( log ⁡ n ) non-Clifford gates, filling a gap between the previous positive and negative results.

Physics↗
NASA NTRS1982

Thermodynamic limits to the conversion of blackbody radiation by quantum systems

Using general thermodynamic arguments, we analyze the conversion of the energy contained in the radiation from a blackbody to useful work by a quantum system. We show that the energy available for conversion is bounded above by the change in free energy in the incident and reradiated fields and that this free energy change depends upon the temperature of the receiving device. Universal efficiency curves giving the ultimate thermodynamic conversion efficiency of the quantum system are presented in terms of the blackbody temperature and the temperature and threshold energy of the quantum system. Application of these results is made to a variety of systems including biological photosynthetic, photovoltaic, and photoelectrochemical systems.

Buoncristiani, A. M.↗
DOE OSTI2020

Thermoelectric response and entropy of fractional quantum Hall systems

In this work, we study the thermoelectric transport properties of fractional quantum Hall systems based on an exact diagonalization calculation. Based on the relation between the thermoelectric response and thermal entropy, we demonstrate that thermoelectric Hall conductivity $α_{xy}$ has power-law scaling $α_{xy} ∝ T^η$ for gapless composite Fermi-liquid states at filling numbers $\textit{ν}$ = 1/2 and 1/4 at low temperatures ($\textit{T}$), with an exponent η ~ 0.5 distinctly different from Fermi liquids. The power-law scaling remains unchanged for different forms of interaction including Coulomb and short-range ones, demonstrating the robustness of non-Fermi-liquid behavior of these interacting systems at low $\textit{T}$. In contrast, for the 1/3 fractional quantum Hall state, $α_xy$ vanishes at low $\textit{T}$ with an activation gap associated with neutral collective modes rather than charged quasiparticles. Our results establish another manifestation of the non-Fermi-liquid nature of quantum Hall fluids at a finite temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗