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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Fast Single-Quantum Measurement with a Multi-Amplifier Sensing Charge-Coupled Device

A novel readout architecture that uses multiple non-destructive floating-gate amplifiers to achieve sub-electron readout noise in a thick, fully-depleted silicon detector is presented. This Multi-Amplifier Sensing Charge-Coupled Device (MAS-CCD) can perform multiple independent charge measurements with each amplifier; measurements with multiple amplifiers can then be combined to further reduce the readout noise. The readout speed of this detector scales roughly linearly with the number of amplifiers without requiring segmentation of the active area. The performance of this detector is demonstrated, emphasizing the ability to resolve individual quanta and the ability to combine measurements across amplifiers to reduce readout noise. The unprecedented low noise and fast readout of the MAS-CCD make it a unique technology for astronomical observations, quantum imaging, and low-energy interacting particles.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Improving the accuracy and efficiency of quantum connected moments expansions

The still-maturing noisy intermediate-scale quantum technology faces strict limitations on the algorithms that can be implemented efficiently. In the realm of quantum chemistry, the variational quantum eigensolver (VQE) algorithm has become ubiquitous, with many variations. Alternatively, a promising new avenue has been unraveled by the quantum variants of techniques grounded on expansions of the moments of the Hamiltonian, notably the connected moments expansion (CMX) and the Peeters–Devreese–Soldatov (PDS) energy functional. Common to those approaches is that, upon preparing an approximate ground state used to compute the necessary moments, the accuracy of the estimated ground state energy depends on the degree of overlap between the prepared state and the true ground state. Thus, we use the ADAPT-VQE algorithm to test shallow circuit construction strategies for the purpose of increasing the overlap with the exact ground state, validated by the sizable accuracy improvement herein reported in the PDS and CMX ground state energies. We also show that we can take advantage of the fact that the terms to be measured are highly recurring in different moments, incurring a substantial reduction in the number of necessary measurements. Finally, by coupling this measurement caching with a threshold that determines whether a given term is to be measured based on its associated scalar coefficient, we observe a further reduction in the number of circuit implementations while allowing for tunable accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Chern Insulators at Integer and Fractional Filling in Moiré Pentalayer Graphene

The advent of moiré platforms for engineered quantum matter has led to discoveries of integer and fractional quantum anomalous Hall effects, with predictions for correlation-driven topological states based on electron crystallization. Here, we report an array of trivial and topological insulators formed in a moiré lattice of rhomobohedral pentalayer graphene (R5G). At a doping of one electron per moiré unit cell ( ν = 1 ), we see a correlated insulator with a Chern number that can be tuned between C = 0 and + 1 by an electric displacement field. This is accompanied by a series of additional Chern insulators with C = + 1 originating from fractional fillings of the moiré lattice— ν = 1 / 4 , 1 / 3 , and 2 / 3 —associated with the formation of moiré-driven topological electronic crystals. At ν = 2 / 3 the system exhibits an integer quantum anomalous Hall effect at zero magnetic field, but further develops hints of an incipient C = 2 / 3 fractional Chern insulator in a modest field. Our results establish moiré R5G as a fertile platform for studying the competition and potential intertwining of integer and fractional Chern insulators. Published by the American Physical Society 2025

Waters, Dacen (ORCID:0000000335880039)↗
DOE OSTI2024

Simplified projection on total spin zero for state preparation on quantum computers

Here, we introduce a simple algorithm for projecting on J = 0 states of a many-body system by performing a series of rotations to remove states with angular momentum projections greater than zero. Existing methods rely on unitary evolution with the two-body operator J 2 , which when expressed in the computational basis contains many complicated Pauli strings requiring Trotterization and leading to very deep quantum circuits. Our approach performs the necessary projections using the one-body operators J x and J z . By leveraging the method of Cartan decomposition, the unitary transformations that perform the projection can be parametrized as a product of a small number of two-qubit rotations, with angles determined by an efficient classical optimization. Given the reduced complexity in terms of gates, this approach can be used to prepare approximate ground states of even-even nuclei by projecting onto the J = 0 component of deformed Hartree-Fock states. We estimate the resource requirements in terms of the universal gate set {H,S, CNOT ,T} and briefly discuss a variant of the algorithm that projects onto J = 1/2 states of a system with an odd number of fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Self-similarity of scalar isosurface area density in a temporal mixing layer

Understanding the behaviour of scalar isosurfaces in a turbulent flow is of particular interest for many problems in turbulent mixing that contain sharp interfaces between regions of the flow. Common examples include combustion, where the chemical reactions occur in thin regions within the flow, and the turbulent/non-turbulent interface in shear flows, where a thin region separates the rotational, turbulent motions from the irrotational, non-turbulent background. Recent advances in computing technology allow for in-depth analysis of these interface problems that are difficult to quantify in a laboratory setting. In this paper, the results of a direct numerical simulation of a passive scalar $\varPhi$ evolving on a turbulent, temporally developing mixing layer are described. A novel approach has been taken to calculate the surface area of individual scalar isosurfaces, $A_{iso}$ , throughout the simulation, as well as the mean isosurface area density, $\varSigma$ , as a function of the cross-stream direction and time. A notable finding is that the profiles of $\varSigma$ develop in a self-similar manner when scaled by the Taylor scale of the scalar field, $\lambda _\phi$ . Remarkably, the scaling appears to hold for a wide range of isovalues. A rough scaling argument based on the formal definition of $\varSigma$ and properties of a temporal mixing layer is presented which also exposes a dependence on $\lambda _\phi$ . Based on these results, a possible scaling for the isosurface area is presented as $A_{iso}/A_0 \sim (Re \, Sc)^{1/2}$ , where $Re$ and $Sc$ are local Reynolds and Schmidt numbers, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Layer-Dependent Magnetism and Spin Fluctuations in Atomically Thin van der Waals Magnet CrPS 4

van der Waals (vdW) magnets, an emerging family of two-dimensional (2D) materials, have received tremendous attention due to their rich fundamental physics and significant potential for cutting-edge technological applications. In contrast to the conventional bulk counterparts, vdW magnets exhibit significant tunability of local material properties, such as stacking engineered interlayer coupling and layer-number dependent magnetic and electronic interactions, which promise to deliver previously unavailable merits to develop multifunctional microelectronic devices. As a further ingredient of this emerging topic, here we report nanoscale quantum sensing and imaging of atomically thin vdW magnet chromium thiophosphate CrPS 4 , revealing its characteristic layer-dependent 2D static magnetism and dynamic spin fluctuations. We also show a large tunneling magnetoresistance in CrPS 4 -based spin filter vdW heterostructures. Here, the excellent material stability, robust strategy against environmental degradation, in combination with tailored magnetic properties highlight the potential of CrPS 4 in developing state-of-the-art 2D spintronic devices for next-generation information technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Learning-based approach to plasticity in athermal sheared amorphous packings: Improving softness

The plasticity of amorphous solids undergoing shear is characterized by quasi-localized rearrangements of particles. While many models of plasticity exist, the precise relationship between the plastic dynamics and the structure of a particle’s local environment remains an open question. Previously, machine learning was used to identify a structural predictor of rearrangements called “softness.” Although softness has been shown to predict which particles will rearrange with high accuracy, the method can be difficult to implement in experiments where data are limited and the combinations of descriptors it identifies are often difficult to interpret physically. Here, we address both of these weaknesses, presenting two major improvements to the standard softness method. First, we present a natural representation of each particle’s observed mobility, allowing for the use of statistical models that are both simpler and provide greater accuracy in limited datasets. Second, we employ persistent homology as a systematic means of identifying simple, topologically informed, structural quantities that are easy to interpret and measure experimentally. We test our methods on two-dimensional athermal packings of soft spheres under quasi-static shear. We find that the same structural information that predicts small variations in the response is also predictive of where plastic events will localize. We also find that an excellent accuracy is achieved in athermal sheared packings using simply a particle’s species and the number of nearest neighbor contacts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Combined microwave and laser Rayleigh scattering diagnostics for pin-to-pin nanosecond discharges

In this work, the temporal decay of electrons produced by an atmospheric pin-to-pin nanosecond discharge operating in the spark regime was measured via a combination of microwave Rayleigh scattering (MRS) and laser Rayleigh scattering (LRS). Due to the initial energy deposition of the nanosecond pulse, a variation in the local gas density occurs on the timescale of electron decay. Thus, the assumption of a constant collisional frequency is no longer applicable when electron number data are extracted from MRS measurements. Furthermore, to recalibrate MRS measurements throughout the electron decay period, temporally resolved LRS measurements of the local gas density were performed over the event duration. The local gas density was calculated to be 30% of the ambient level during the later stages of electron decay, and it recovers at about 1 ms after discharge. A shock front traveling approximately 500 m/s was additionally observed. Coupled with plasma volume calibration via temporally resolved intensified charge-coupled device imaging, the corrected decay curves of the electron number and electron number density are presented with a measured peak electron number density of 4.5 × 1015 cm -3 and a decay rate of ~(0.1–0.35) × 10 7 s -1 . A hybrid MRS and LRS diagnostic technique can be applied for a broad spectrum of atmospheric-pressure microplasmas where a variation in the gas number density is expected due to energy deposition in the discharge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Nanoscale solid-state nuclear quadrupole resonance spectroscopy using depth-optimized nitrogen-vacancy ensembles in diamond

Nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) spectroscopy of bulk quantum materials have provided insight into phenomena, such as quantum phase criticality, magnetism, and superconductivity. With the emergence of nanoscale 2D materials with magnetic phenomena, inductively detected NMR and NQR spectroscopy are not sensitive enough to detect the smaller number of spins in nanomaterials. The nitrogen-vacancy (NV) center in diamond has shown promise in bringing the analytic power of NMR and NQR spectroscopy to the nanoscale. However, due to depth-dependent formation efficiency of the defect centers, noise from surface spins, band bending effects, and the depth dependence of the nuclear magnetic field, there is ambiguity regarding the ideal NV depth for surface NMR of statistically polarized spins. In this work, we prepared a range of shallow NV ensemble layer depths and determined the ideal NV depth by performing NMR spectroscopy on statistically polarized 19 F in Fomblin oil on the diamond surface. We found that the measurement time needed to achieve a signal-to-noise ratio of 3 using XY8-N noise spectroscopy has a minimum at an NV ensemble depth of 5.5 ± 1.5 nm for ensembles activated from 100 ppm nitrogen concentration. To demonstrate the sensing capabilities of NV ensembles, we perform NQR spectroscopy on the 11 B of hexagonal boron nitride flakes. We compare our best diamond to previous work with a single NV and find that this ensemble provides a shorter measurement time with excitation diameters as small as 4 μm. Furthermore, this analysis provides ideal conditions for further experiments involving NMR/NQR spectroscopy of 2D materials with magnetic properties.

2D materials↗
DOE OSTI2025

Semiclassical Wormholes toward Typical Entangled States

What do the typical entangled states of two black holes look like? Do they contain semiclassical interiors? We approach these questions constructively, providing ensembles of states that densely explore the black hole Hilbert space. The states contain very long Einstein-Rosen caterpillars : semiclassical wormholes with large numbers of matter inhomogeneities. Distinguishing these ensembles from the typical entangled states of the black holes is hard. We quantify this by deriving the correspondence between a microscopic notion of quantum randomness and the geometric length of the wormhole. This formalizes a “complexity = geometry” relation.

quantum aspects of black holes↗
DOE OSTI2020

Modeling the pseudogap metallic state in cuprates: Quantum disordered pair density wave

We present a way to quantum-disorder a pair density wave and propose it to be a candidate of the effective low-energy description of the pseudogap metal which may reveal itself in a sufficiently high magnetic field that suppresses the d-wave pairing. The ground state we construct is a small-pocket Fermi liquid with a bosonic Mott insulator in the density-wave-enlarged unit cell. At low energy, the charge density is mainly carried by charge 2e bosons, which develop a small insulating gap. As an intermediate step, we discuss the quantum disordering of a fully gapped superconductor and its excitation spectrum. A simplified 1D model, which we solve numerically, is used to illustrate the introduced concepts. Here, we discuss a number of experimental consequences. The interplay between the electron and the small-gap boson results in a step-function background in the electron spectral function which may be consistent with existing angle-resolved photoemission spectroscopy data. Optical excitation across the boson gap can explain the onset and the magnitude of the mid infrared absorption reported long ago.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

TDAG: Tree-based Directed Acyclic Graph Partitioning for Quantum Circuits

We propose the Tree-based Directed Acyclic Graph (TDAG) partitioning for quantum circuits, a novel quantum circuit partitioning method which partitions circuits by viewing them as a series of binary trees and selecting the tree containing the most gates. TDAG produces results of comparable quality (number of partitions) to an existing method called ScanPartitioner (an exhaustive search algorithm) with an 95% average reduction in execution time. Furthermore, TDAG improves compared to a faster partitioning method called QuickPartitioner by 38% in terms of quality of the results with minimal overhead in execution time.

Clark, Joseph↗
DOE OSTI2025

Langevin Dynamics modeling of gas-phase ion-ion recombination (Final Technical Report)

A self-consistent trajectory simulation approach to model MN reactions (Fig. 1) which incorporates the probability of electron transfer as a Monte Carlo operator (Fig. 2) was developed and published as Liu et al. J. Chem. Phys. 159, 114111 (2023). The electron transfer probability p ET estimated using the two-state Landau-Zener (LZ) theory was incorporated into classical trajectory simulations to elicit predictions of MN reaction cross-section σ (vacuum) or rate constant β (finite pressure). Electronic structure calculations with multireference configuration interaction (MRCI) and large correlation consistent basis sets were used to derive inputs to the LZ theory. The key advance of our trajectory simulation approach is the incorporation of electron transfer probability and the inclusion of the effect of ion-neutral interactions on MN using a Langevin representation of the effect of neutral gas on ions. For H + – H - and Li + – H(D) - pairs, our approach quantitatively agrees with measured speed-dependent cross-sections for up to ~10 5 m/s. For the ion pair Ne + – Cl - , our predictions of the MN rate constant at ~1 torr are a factor of ~2 – 3 higher than the experimentally measured value. Similarly, for Xe + – F - in the pressure range of ~20000 – 80000 Pa, our predictions of the MN rate constant are ~20% lower but are in excellent qualitative agreement with experimental data. The paradigm of using trajectory simulations to self-consistently model MN reactions is the basis for inclusion of additional non-classical, and static magnetic and electric field effects. Subsequent work, published as Roy et al. focused on modeling recombination rate constant for three ion pairs (rare gas Ar + cation and halide anions): Ar + – Cl - , Ar + – Br - , Ar + – I - , 2) considering spin-orbit couplings in the electronic structure calculations to obtain high-fidelity estimates of the electron transfer probability and incorporated within the classical trajectory simulations to elicit predictions. In addition to calculations of ion-ion recombination rate constants, a classical trajectory simulation technique (published as Roy et al. J. Chem. Phys. 162(9), 094104 (2023)) that uses quaternions to represent orientation of non-spherical particles (ions or aerosol particles) was developed to simulate the recombination of diatomic or more generally, polyatomic molecules. Finally, several other ion pairs such as Ne + – Cl - , Kr + – Cl - , were explored using the developed semi-classical trajectory simulations to understand various challenges in tackling electronic structure calculations. Using empirical approaches to parameterize the electron transfer radius, trajectory simulations were also used to probe the effect of ion number density on MN rate constant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Quantum Vision Transformers for Quark–Gluon Classification

We introduce a hybrid quantum-classical vision transformer architecture, notable for its integration of variational quantum circuits within both the attention mechanism and the multi-layer perceptrons. The research addresses the critical challenge of computational efficiency and resource constraints in analyzing data from the upcoming High Luminosity Large Hadron Collider, presenting the architecture as a potential solution. In particular, we evaluate our method by applying the model to multi-detector jet images from CMS Open Data. The goal is to distinguish quark-initiated from gluon-initiated jets. We successfully train the quantum model and evaluate it via numerical simulations. Using this approach, we achieve classification performance almost on par with the one obtained with the completely classical architecture, considering a similar number of parameters.

Comajoan Cara, Marçal (ORCID:0009000126263752)↗
NASA NTRS1989

Detection of a new circumstellar carbon chain molecule, C4Si

A new interstellar carbon chain molecule, C4Si, has been detected in the envelope of the evolved star IRC + 10216. This molecule is the carrier of six unidentified lines which had been detected during the molecular line survey at Nobeyama Radio Observatory. The identification was made through astronomical detections followed by quantum chemical calculations and laboratory spectroscopic experiments. The rotational constant and the centrifugal distortion constant were B(0) = 1533.77206(146) MHz and D(0) = 0.00005827(35) MHz, respectively, where the numbers in parentheses represent one standard deviation in units of the last significant digits. The rotation temperature and the column density were 15 + or - 2 K and (7 + or - 1) x 10 to the 12th/sq cm, respectively, assuming a source size of 25 arcsec.

Ohishi, Masatoshi↗
NASA NTRS2001

Determination of the Hyperfine Structure of N2D(+)

We present new high spectral resolution observations of the N2D+ J = 2 yields 1 and J = 3 yields 2 as well as N2H+ J = 3 yields 2 lines, towards dense molecular cores. The hyperfine structure of the N2H+ and N2D+ transitions is clearly resolved in these sources, in excellent agreement with quantum mechanical calculations. Optical depths are determined from the observed spectra, leading to D/H values of the order of 10 - 30% for the N2D+/N2H+ system. There are a large number of hyperfine components and in addition to providing satellites they contribute to the broadening and asymmetric shapes of the N2H+ and N2D+ line profiles. It is therefore important to take into account the detailed hyperfine structure of the transitions when deducing astrophysical parameters from observed data.

Gerin, Maryvonne↗
DOE OSTI2025

Rational QCD loop amplitudes and quantum theories on twistor space

We show how curing an anomaly of the twistor uplift of self-dual Yang-Mills theory implies linear relations among one-loop, n-gluon, color-ordered subamplitudes in QCD, when all n gluon helicities are positive, or when exactly one is negative. We compute the number of linearly independent subamplitudes as determined by these relations, in terms of unsigned Stirling numbers. Then we use a momentum-twistor parametrization to show that there are no further linear dependencies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Nanotesla Magnetometry with the Silicon Vacancy in Silicon Carbide

Silicon carbide is a promising host material for spin-defect-based quantum sensors owing to its commercial availability and established techniques for electrical and optical microfabricated device integration. The negatively charged silicon vacancy is one of the leading spin defects studied in silicon carbide owing to its near-telecom photoemission, high spin number, and nearly temperature-independent ground-state zero-field splitting. We report the realization of nanotesla shot-noise-limited ensemble magnetometry based on optically detected magnetic resonance with the silicon vacancy in 4H silicon carbide. By coarsely optimizing the anneal parameters and minimizing power broadening, we achieve a sensitivity of 50 nT/√Hz and a theoretical shot-noise-limited sensitivity of 3.5 nT/√Hz. This is accomplished without utilizing complex photonic engineering, control protocols, or applying excitation powers greater than a watt. This work demonstrates that the silicon vacancy in silicon carbide provides a low-cost and simple approach to quantum sensing of magnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗