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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A quantum eigenvalue solver based on tensor networks

Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms except in cases of weak electron correlation or one-dimensional spatial geometry. We introduce a hybrid quantum-classical eigenvalue solver that constructs a wavefunction ansatz from a linear combination of matrix product states in rotated orbital bases, enabling the characterization of strongly correlated ground states with arbitrary spatial geometry. The energy is converged via a gradient-free generalized sweep algorithm based on quantum subspace diagonalization, with a potentially exponential speedup in the off-diagonal matrix element contractions upon translation into compact quantum circuits of linear depth in the number of qubits. Chemical accuracy is attained in numerical experiments for both a stretched water molecule and an octahedral arrangement of hydrogen atoms, achieving substantially better correlation energies compared to a unitary coupled-cluster benchmark, with orders of magnitude reductions in quantum resource estimates and a surprisingly high tolerance to shot noise. This proof-of-concept study suggests a promising new avenue for scaling up simulations of strongly correlated chemical systems on near-term quantum hardware.

chemistry↗
DOE OSTI2024

Correlation functions from tensor network influence functionals: The case of the spin-boson model

We investigate the application of matrix product state (MPS) representations of the influence functionals (IFs) for the calculation of real-time equilibrium correlation functions in open quantum systems. Focusing specifically on the unbiased spin-boson model, we explore the use of IF-MPSs for complex time propagation, as well as IF-MPSs for constructing correlation functions in the steady state. We examine three different IF approaches: one based on the Kadanoff–Baym contour targeting correlation functions at all times, one based on a complex contour targeting the correlation function at a single time, and a steady state formulation, which avoids imaginary or complex times, while providing access to correlation functions at all times. We show that within the IF language, the steady state formulation provides a powerful approach to evaluate equilibrium correlation functions.

Chemistry↗
DOE OSTI2024

Scalar and Tensor Charmonium Resonances in Coupled-Channel Scattering from Lattice QCD

We determine J P C = 0 + + and 2 + + hadron-hadron scattering amplitudes in the charmonium energy region up to 4100 MeV using lattice QCD, a first-principles approach to QCD. Working at m π ≈ 391 MeV , more than 200 finite-volume energy levels are computed and these are used in extensions of the Lüscher formalism to determine infinite-volume coupled-channel scattering amplitudes. We find that this energy region contains a single χ c 0 and a single χ c 2 resonance. Both are found as pole singularities on the closest unphysical Riemann sheet, just below 4000 MeV with widths around 70 MeV. The largest couplings are to kinematically closed D * D ¯ * channels in S -wave, and couplings to several decay channels consisting of pairs of open-charm mesons are found to be large and significant in both cases. Above the ground state χ c 0 , no other scalar bound states or near- D D ¯ threshold resonances are found, in contrast to several theoretical and experimental studies. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Generalized parton distributions from lattice QCD with asymmetric momentum transfer: Tensor case

The calculation of generalized parton distributions (GPDs) in lattice QCD was traditionally done by calculating matrix elements in the symmetric frame. Recent advancements have significantly reduced computational costs by calculating these matrix elements in the asymmetric frame, allowing us to choose the momentum transfer to be in either the initial or final states only. The theoretical methodology requires a new parametrization of the matrix element to obtain Lorentz-invariant amplitudes, which are then related to the GPDs. The formulation and implementation of this approachaveh already been established for the unpolarized and helicity GPDs. Building upon this idea, we extend this formulation to the four leading-twist quark transversity GPDs ($𝐻_𝑇$, $𝐸_𝑇$, $\tilde{𝐻}_𝑇$, $\tilde{𝐸}_𝑇$). We also present numerical results for zero skewness using an 𝑁 𝑓 = 2 +1 +1 ensemble of twisted mass fermions with a clover improvement. The light quark masses employed in these calculations correspond to a pion mass of about 260 MeV. Furthermore, we include a comparison between the symmetric and asymmetric frame calculations to demonstrate frame independence of the Lorentz-invariant amplitudes. Analysis of the matrix elements in the asymmetric frame is performed at several values of the momentum transfer squared, −𝑡, ranging from 0.17 to 2.29 GeV 2 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

SPARTAN (Scalable Probabilistic Application Reconfigurable Tensor Autonomous Network)

The technical founder of Ludwig Computing Inc has been competitively selected for support by Cyclotron Road, a U.S. Department of Energy (DOE) Advanced Manufacturing Office (AMO) Lab-Embedded Entrepreneurship Program (LEEP) through an approved merit review process. Ludwig Computing Inc, supported by the U.S. Department of Energy's Advanced Manufacturing Office through the Cyclotron Road program, has investigated the advantages of probabilistic computing for real-world compute-intensive applications. This research adds to the understanding of alternative computing paradigms by exploring a unique hardware-software co-design that integrates quantum computing methods with nature-inspired problem-solving techniques. The project's focus on areas such as combinatorial optimization, graph analytics, and machine learning demonstrates the potential for significant advancements in computational efficiency and performance. By harnessing natural randomness to streamline large circuits into fewer devices, Ludwig's approach enables massive parallelism, potentially offering higher throughput, speed, and energy efficiency compared to conventional hardware solutions. This work benefits the public by paving the way for more efficient computing solutions that could address complex real-world problems while potentially reducing energy consumption in data-intensive industries.

97 MATHEMATICS AND COMPUTING↗