Search NASA⌕ Search

SEARCH · Search NASA

Results for “Distributed quantum computing”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Accelerating multicanonical sampling with irreversibility

Flat-histogram Monte Carlo simulations are well-established, robust methods to perform random walks in a physical observable or parameter space, making them suitable for finding ground states or studying phase transitions in complex systems in statistical physics. However, their efficiency can be limited by the time to attain the desired flat distribution, which is generally unknown prior to the simulations. In particular, they might suffer from slowing down towards the end of a simulation due to the diffusive nature of random walks. In this work we apply irreversibility to the multicanonical Monte Carlo method via the lifting approach to alleviate this behavior. We achieve a 2–4 times speedup in ground-state search for a two-dimensional (2D) Ising model, and up to an order of magnitude of speedup for finding the ground-state energy in an Edwards–Anderson spin glass, compared to traditional multicanonical sampling. In conclusion, the round-trip times between ground states show a narrower distribution and are significantly shorter compared to the reversible counterpart, suggesting that a lower convergence time with a smaller time variance is feasible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Probing the Full Distribution of Many-Body Observables By Single-Qubit Interferometry

We present an experimental scheme to measure the full distribution of many-body observables in spin systems, both in and out of equilibrium, using an auxiliary qubit as a probe. Here, we focus on the determination of the magnetization and the kink number statistics at thermal equilibrium. The corresponding characteristic functions are related to the analytically continued partition function. Thus, both distributions can be directly extracted from experimental measurements of the coherence of a probe qubit that is coupled to an Ising-type bath, as reported in [X. Peng et al., Phys. Rev. Lett. 114, 010601 (2015)] for the detection of Lee-Yang zeros.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Near-field acoustical holography and acoustic power analysis of a simulated, highly heated supersonic jet

Although near-field acoustical holography (NAH) and acoustic intensity analysis have previously been used to investigate the apparent jet noise sources produced by military aircraft, explicit connections to supersonic jet characteristics cannot be made due to a lack of information about the exhaust plume. Here, to begin to bridge this gap and better understand the source information yielded by NAH, the current study instead applies NAH to a virtual measurement of the near-field pressures of a highly heated laboratory-scale supersonic jet generated by large-eddy simulation (LES). The holographic reconstructions of the pressure, particle velocity, and acoustic intensity are found to match the LES-generated acoustic field well and are used to calculate the acoustic power of the jet. The jet's calculated overall acoustic power is compared to the free-stream mechanical power, resulting in an acoustic efficiency of 1.5%. Ray-tracing of the acoustic intensity to the jet centerline generates an axial distribution of the acoustic power origin, showing that almost all the power originates from the supersonic portion of the flow and with the distribution peak upstream of the potential core tip. Holographic reconstruction of the pressures along the nozzle lipline captures the general spectral shape of the LES-generated pressures, though it underestimates the amplitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Calculating the hyperfine tensors for group-IV impurity-vacancy centers in diamond using hybrid density functional theory

The hyperfine interaction is an important probe for understanding the structure and symmetry of defects in a semiconductor. Density functional theory has shown that it can provide useful first-principles predictions for both the hyperfine tensor and the hyperfine constants that arise from it. Recently there has been great interest in using group-IV impurity-vacancy color centers XV – (where X = Si, Ge, Sn, or Pb and V is a carbon vacancy) for important applications in quantum computing and quantum information science. In this paper we have calculated the hyperfine tensors for these XV – color centers using the HSE06 screened Hartree-Fock hybrid exchange-correlation functional with the inclusion of core electron spin polarization. We have compared our results to calculations which only use the PBE exchange-correlation functional without the inclusion of core electron spin polarization and we have found that our results are in very good agreement with available experimental results. Lastly, we have theoretically shown that these XV – color centers exhibit a Jahn-Teller distortion which explains the observed anisotropic distribution of the hyperfine constants among the neighboring 13 C nuclear spins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Emu v1.1

Emu is a particle-in-cell code for solving the neutrino quantum kinetic equations in 1, 2, or 3 spatial dimensions with arbitrary angular resolution in order to simulate neutrino flavor transformation in neutron star merger and core collapse supernova environments. Emu represents the neutrino distribution function as a set of particles, each of which represent a collection of neutrinos and antineutrinos with unique position and momentum. Each particle carries two density matrices to define the flavor state of the neutrinos and antineutrinos it represents. Emu includes the vacuum, matter, and neutrino self-interaction potentials. Emu calculates the self-interaction potential using PIC deposition and interpolation algorithms that efficiently compute the local number density and flux at particle locations. Emu is implemented in C++ and is based on the AMReX library for high-performance, block-structured adaptive mesh refinement. Emu is parallelized with MPI + OpenMP for CPUs and MPI + CUDA for GPUs.

Willcox, Donald↗
DOE OSTI2024

Spinbox: tools for many-body quantum systems in a Monte Carlo context

Spinbox is a piece of software that facilitates quantum mechanical calculations relevant to Monte Carlo simulation of atomic nuclei. At the front lines of research on the nuclear many-body problem are a large number of supercomputer-scale simulation codes. These codes produce valuable results but can be hard to understand, especially for those without intimate knowledge of the relevant theoretical methods. Thus, tools that fill pedagogical roles are extremely valuable. Spinbox makes it easy for one to replicate and analyze the computational processes relevant to a Quantum Monte Carlo (QMC) simulation that may be difficult to understand/debug/analyze due to the scale of the corresponding simulation software. Spinbox is written in Python using other state-of-the-art Python modules for numerical calculations. While a number of Python libraries exist that are suited to general quantum many-body calculations, the motivation of Spinbox is quite particular. In Diffusion Monte Carlo methods (DMC, GFMC, AFDMC), the central calculation is the imaginary-time propagation of individual samples of the many-body wavefunction. Although quantum wavefunctions generally must be described by a probability distribution over a basis, DMC imbues particles (within one sample) with classical spatial coordinates. This method is unusual, so other Python packages are typically not set up to do this easily. Furthermore, the software has built-in options for nuclear systems assuming isospin symmetry, which can be set up with other libraries but is a nontrivial process to do so. Features: - numerical representation of samples of the many-body wavefunctions, including tensor-product states (used in AFDMC) - numerical representation of many-body operators, including tensor-product operators: general, spin, imaginary-time propagation, etc. - the correct associated arithmetic and algebra, implemented as class methods - classes for representing realistic nuclear two- and three-body Hamiltonians (e.g. Argonne V18, Illinois NNN) - large-scale parallel integration over random variables, crucial for the AFDMC method My goal is to make this package open source so that anyone may use it and contribute to it, particularly other researchers doing AFDMC calculations

Fox, Jordan↗
NASA NTRS1997

Dynamics of Superfluid Helium in Low-Gravity

This report summarizes the work performed under a contract entitled 'Dynamics of Superfluid Helium in Low Gravity'. This project performed verification tests, over a wide range of accelerations of two Computational Fluid Dynamics (CFD) codes of which one incorporates the two-fluid model of superfluid helium (SFHe). Helium was first liquefied in 1908 and not until the 1930s were the properties of helium below 2.2 K observed sufficiently to realize that it did not obey the ordinary physical laws of physics as applied to ordinary liquids. The term superfluidity became associated with these unique observations. The low temperature of SFHe and it's temperature unifonrmity have made it a significant cryogenic coolant for use in space applications in astronomical observations with infrared sensors and in low temperature physics. Superfluid helium has been used in instruments such as the Shuttle Infrared Astronomy Telescope (IRT), the Infrared Astronomy Satellite (IRAS), the Cosmic Background Observatory (COBE), and the Infrared Satellite Observatory (ISO). It is also used in the Space Infrared Telescope (SIRTF), Relativity Mission Satellite formally called Gravity Probe-B (GP-B), and the Test of the Equivalence Principle (STEP) presently under development. For GP-B and STEP, the use of SFHE is used to cool Superconducting Quantum Interference Detectors (SQUIDS) among other parts of the instruments. The Superfluid Helium On-Orbit Transfer (SHOOT) experiment flown in the Shuttle studied the behavior of SFHE. This experiment attempted to get low-gravity slosh data, however, the main emphasis was to study the low-gravity transfer of SFHE from tank to tank. These instruments carried tanks of SFHE of a few hundred liters to 2500 liters. The capability of modeling the behavior of SFHE is important to spacecraft control engineers who must design systems that can overcome disturbances created by the movement of the fluid. In addition instruments such as GP-B and STEP are very sensitive to quasi-steady changes in the mass distribution of the liquid. The CFD codes were used to model the fluid's dynamic motion. Tests in one-g were performed with the main emphasis on being able to compute the actual damping of the fluid. A series of flights on the NASA Lewis reduced gravity DC-9 aircraft were performed with the Jet Propulsion Laboratory (JPL) Low Temperature Flight Facility and a superfluid Test Cell. The data at approximately 0.04g, lg and 2g were used to determine if correct fundamental frequencies can be predicted based on the acceleration field. Tests in zero gravity were performed to evaluate zero gravity motion.

Frank, David J.↗
DOE OSTI2025

On symmetry-resolved generalized entropies

Symmetry-resolved entanglement, capturing the refined structure of quantum entanglement in systems with global symmetries, has attracted a lot of attention recently. In this manuscript, introducing the notion of symmetry-resolved generalized entropies, we aim to develop a computational framework suitable for the study of excited state symmetry-resolved entanglement as well as the dynamical evolution of symmetry-resolved entanglement in symmetry-preserving out-of-equilibrium settings. We illustrate our framework using the example of (1+1)-d free massless compact boson theory, and benchmark our results using lattice computation in the XX chain. As a byproduct, our computational framework also provides access to the probability distribution of the symmetry charge contained within a subsystem and the corresponding full counting statistics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2018

Mechanism of Quantum Speedup in Novel Population Transfer Protocol for Binary Optimization Problems

We consider a novel quantum population transfer protocol to solve binary optimization problems that exploits quantum many-body dynamics in the delocalized regime. Hard optimization problems are characterized by energy landscape with a large number of local minima separated by large Hamming distances which scale with the problem size. This landscape gives rise to an interesting computational primitive: given an initial bit-string, we are to produce other bit-strings within certain narrow range of energies around the initial state. We consider a specific model we call "impurity band": a system of n qubits in a transverse field, where a number of bitstrings $M<<2^n$ selected at random are assigned random energies distributed in a narrow window of width $W<<1$ around the mean energy $-n$. We demonstrate the existence of the many-body delocalized regime in this model when the spectrum of the model splits into many-body minibands, and a typical eigenstate wave function is a superposition of peaks centered at a large number of local minima. The typical width of the minibands in energy determines the efficiency of the population transfer protocol. We demonstrate theoretically that the population transfer protocol achieves Grover type speedup in the unstructured impurity band model.

Kechedzhi, Kostyantyn↗
DOE OSTI2024

Optimizing spectral phase transfer in four-wave mixing with gas-filled capillaries

Four-wave mixing (FWM) in gas-filled hollow-core capillaries, a nonlinear optical process that mixes signal and pump photon frequencies to generate idler frequency photons, offers a method for precise spectral phase transfer from signal to idler at ultrashort timescales and extreme powers. However, this regime is challenged by competing linear and nonlinear dynamics, leading to significant trade-offs between spectral phase transfer and conversion efficiency. Our computational investigation focuses on the upconversion of femtosecond pulses from the infrared (IR) to the ultraviolet (UV), a range notoriously difficult to manipulate. We explore an intermediate energy regime that strikes an optimal balance between FWM-mediated phase-transfer fidelity and nonlinear conversion efficiency. By adjusting the energy ratios and spectral phase profiles of the input signal, we achieve conversion efficiencies of approximately 5-15% while maintaining an effective quasi-linear spectral phase transfer. These findings will contribute to establishing first-principles and scaling laws essential for applications such as high-precision imaging, spectroscopy, quantum transduction, and distributed entangled interconnects, facilitating advanced control of ultrafast photonic and electronic wavepackets in quantum materials with unprecedented spatial and temporal precision.

Zhang, Hao↗
DOE OSTI2021

SOMAFOAM: An OpenFOAM based solver for continuum simulations of low-temperature plasmas

Here, we report the development of SOMAFOAM, a finite volume framework for performing continuum simulations of low-temperature plasmas. The primary goal of this work is to discuss the features of SOMAFOAM along with representative results provided as examples for a range of operating conditions and geometries. This includes plasma and plasma–dielectric systems operating in direct current, radio frequency, and microwave regimes from pressures as low as 100 mTorr to atmospheric pressure. The code has several useful features including the ability to run massively parallel simulations using arbitrary geometries, structured/unstructured meshes, choice of models such as drift–diffusion/full-momentum at runtime, and species-dependent timesteps to name a few. The verification/validation studies presented include comparison with previously published continuum simulations (low-pressure direct current and radio frequency plasma), with experiments (Gaseous Electronics Conference Reference Cell and microwave microplasma ignited in a split ring resonator), and previously published kinetic simulations (low-pressure radio frequency plasma). Other examples provided include a direct current atmospheric pressure microplasma bounded by dielectric sidewalls and a helium–nitrogen plasma ignited using a needle electrode facing a dielectric. The performance of the code is also discussed with serial and distributed memory parallel runs demonstrated up to 512 cores. The design and implementation of the code in a modular object-oriented framework allows for easy extension and seamless coupling with other codes and can be expected to play an important role in both academia and industry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Evidence for WW/WZ vector boson scattering in the decay channel ℓνqq produced in association with two jets in proton-proton collisions at s = 13 TeV

Evidence is reported for electroweak (EW) vector boson scattering in the decay channel $\ell\nu$qq of two weak vector bosons WV (V = W or Z), produced in association with two parton jets. The search uses a data set of proton-proton collisions at 13 TeV collected with the CMS detector during 2016-2018 with an integrated luminosity of 138 fb$^{-1}$. Events are selected requiring one lepton (electron or muon), moderate missing transverse momentum, two jets with a large pseudorapidity separation and a large dijet invariant mass, and a signature consistent with the hadronic decay of a W/Z boson. The cross section is computed in a fiducial phase space defined at parton level requiring all parton transverse momenta $p_\mathrm{T}$$\gt$ 10 GeV and at least one pair of outgoing partons with invariant mass $m_\mathrm{qq}$$\gt$ 100 GeV. The measured and expected EW WV production cross sections are 1.90 $^{+0.53}_{-0.46}$ pb and 2.23 $^{+0.08}_{-0.11}$ (scale) $\pm$ 0.05 (PDF) pb, respectively, where PDF is the parton distribution function. The observed EW signal strength is $m_\mathrm{EW}$ = 0.85 $\pm$ 0.12 (stat) $^{+0.19}_{-0.17}$ (syst), corresponding to a signal significance of 4.4 standard deviations with 5.1 expected, and it is measured keeping the quantum chromodynamics (QCD) associated diboson production fixed to the standard model prediction. This is the first evidence of vector boson scattering in the $\ell\nu$qq decay channel at LHC. The simultaneous measurement of the EW and QCD associated diboson production agrees with the standard model prediction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Path integrals, complex probabilities and the discrete Weyl representation

Abstract A discrete formulation of the real-time path integral as the expectation value of a functional of paths with respect to a complex probability on a sample space of discrete valued paths is explored. The formulation in terms of complex probabilities is motivated by a recent reinterpretation of the real-time path integral as the expectation value of a potential functional with respect to a complex probability distribution on cylinder sets of paths. The discrete formulation in this work is based on a discrete version of the Weyl algebra that can be applied to any observable with a finite number of outcomes. The origin of the complex probability in this work is the completeness relation. In the discrete formulation the complex probability exactly factors into products of conditional probabilities and exact unitarity is maintained at each level of approximation. The approximation of infinite dimensional quantum systems by discrete systems is discussed. The method is illustrated by applying it to scattering theory and quantum field theory. The implications of these applications for quantum computing is discussed.

Physics↗
DOE OSTI2021

$t\bar{t}b\bar{b}$ at the LHC: on the size of corrections and b -jet definitions

We report on the calculation of the next-to-leading order QCD corrections to the production of a $t\bar t$ pair in association with two heavy-flavour jets. We concentrate on the di-lepton $t\bar t$ decay channel at the LHC with $\sqrt{s}$ = 13 TeV. The computation is based on pp → $e^+ν_eμ^-\bar{ν}_μb\bar{b}b\bar{b}$ matrix elements and includes all resonant and non-resonant diagrams, interferences and off-shell effects of the top quark and the W gauge boson. As it is customary for such studies, results are presented in the form of inclusive and differential fiducial cross sections. We extensively investigate the dependence of our results upon variation of renormalisation and factorisation scales and parton distribution functions in the quest for an accurate estimate of the theoretical uncertainties. We additionally study the impact of the contributions induced by the bottom-quark parton density. Results presented here are particularly relevant for measurements of $t\bar{t}H(H → b\bar{b})$ and the determination of the Higgs coupling to the top quark. In addition, they might be used for precise measurements of the top-quark fiducial cross sections and to investigate top-quark decay modelling at the LHC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Determination of the Collins-Soper Kernel from Lattice QCD

We present lattice results for the non-perturbative Collins-Soper (CS) kernel, which describes the energy-dependence of transverse momentum-dependent parton distributions (TMDs). The CS kernel is extracted from the ratios of first Mellin moments of quasi-TMDs evaluated at different nucleon momenta. The analysis is done with dynamical N f = 2 + 1 clover fermions for the CLS ensemble H101 (a = 0. 0854 fm, m π = m K = 422 MeV). The computed CS kernel is in good agreement with experimental extractions and previous lattice studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Reliable numerical key rates for quantum key distribution

In this work, we present a reliable, efficient, and tight numerical method for calculating key rates for finite-dimensional quantum key distribution (QKD) protocols. We illustrate our approach by finding higher key rates than those previously reported in the literature for several interesting scenarios (e.g., the Trojan-horse attack and the phase-coherent BB84 protocol). Our method will ultimately improve our ability to automate key rate calculations and, hence, to develop a user-friendly software package that could be used widely by QKD researchers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Efficient 3D Molecular Design with an E(3) Invariant Transformer VAE

This work introduces a three-dimensional (3D) invariant graph-to-string transformer variational autoencoders (VAE) (Vagrant) for generating molecules with accurate density functional theory (DFT)-level properties. Vagrant learns to model the joint probability distribution of a 3D molecular structure and its properties by encoding molecular structures into a 3D-aware latent space. Directed navigation through this latent space implicitly optimizes the 3D structure of a molecule, and the latent embedding can be used to condition a generative transformer to predict the candidate structure as a one-dimensional (1D) sequence. Additionally, we introduce two novel sampling methods that exploit the latent characteristics of a VAE to improve performance. Here, we show that our method outperforms comparable 3D autoregressive and diffusion methods for predicting quantum chemical property values of novel molecules in terms of both sample quality and computational efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Comparison of 1D and 2D particle-in-cell simulations for DC magnetron sputtering discharges

One-dimensional and two-dimensional particle-in-cell (PIC)/Monte Carlo collision simulations are performed for a balanced direct current magnetron sputtering (DCMS) discharge. The plasma parameters obtained by both simulations above the target racetrack share similar features and magnitudes under similar discharge intensities, i.e., similar local discharge current densities. The commonly observed high-energy tail of electron energy distribution in DCMS discharges is reproduced in both simulations. Additionally, the accuracy and applicability of using onedimensional simulations to qualitatively investigate the characteristics of balanced DCMS discharge are confirmed. In terms of capturing the key physical mechanisms in DCMS, one-dimensional PIC simulation is an efficient method, which could largely alleviate the computational expense and preserve the physical fidelity of modeling results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗