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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Investigation of modified uni-traveling carrier photodiode for cryogenic microwave photonic links

Quantum devices present the potential for unparalleled computing and communications capabilities; however, the cryogenic temperatures required to successfully control and read out many qubit platforms can prove to be very challenging to scale. Recently, there has emerged an interest in using microwave photonics to deliver control signals down to ultracold stages via optical fiber, thereby reducing thermal load and facilitating dense wavelength multiplexing. Photodetectors can then convert this optical energy to electrical signals for qubit control. The fidelity of the quantum operations of interest therefore depend heavily upon the characteristics of the photodiode, yet experimental demonstrations of fiber-coupled photodetection systems at low temperatures are relatively few in number, leaving important open questions regarding how specific detectors may perform in real-world cryogenic settings. In this work, we examine a highly linear modified uni-traveling carrier photodiode (MUTC-PD) under C-band illumination (1530–1565 nm) at three temperature regimes (300 K, 80 K, and ∼4 K) and multiple bias conditions. Our findings of reduced responsivity but preserved bandwidth are consistent with previous studies, while our saturation tests suggest a variety of potential applications for MUTC-PDs in cryogenic microwave photonics with and without electrical bias. Overall, our results should provide a valuable foundation for the continued and expanding use of this detector technology in quantum information processing.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Accurate numerical simulations of open quantum systems using spectral tensor trains

Decoherence between qubits is a major bottleneck in quantum computations. Decoherence results from intrinsic quantum and thermal fluctuations as well as noise in the external fields that perform the measurement and preparation processes. With prescribed colored noise spectra for intrinsic and extrinsic noise, we present a numerical method, Quantum Accelerated Stochastic Propagator Evaluation (Q-ASPEN), to solve the time-dependent noise-averaged reduced density matrix in the presence of intrinsic and extrinsic noise. Q-ASPEN is arbitrarily accurate and can be applied to provide estimates for the resources needed to error-correct quantum computations. We employ spectral tensor trains, which combine the advantages of tensor networks and pseudospectral methods, as a variational ansatz to the quantum relaxation problem and optimize the ansatz using methods typically used to train neural networks. Here, the spectral tensor trains in Q-ASPEN make accurate calculations with tens of quantum levels feasible. We present benchmarks for Q-ASPEN on the spin-boson model in the presence of intrinsic noise and on a quantum chain of up to 32 sites in the presence of extrinsic noise. In our benchmark, the memory cost of Q-ASPEN scales as a low-order polynomial in the size of the system once the number of system states surpasses the number of basis functions used in the spectral expansion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Fiber loop quantum buffer for photonic qubits

Abstract We report a fiber loop quantum buffer based on a low-loss 2 × 2 switch and a unit delay made of a fiber delay line. We characterize the device by using a two-photon polarization entangled state in which one photon of the entangled photon pair is stored and retrieved at a repetition rate up to 78 kHz. The device, which enables integer multiples of a unit delay, can store the qubit state in a unit of fiber delay line up to 5.4 km and the number of loop round-trips up to 3. Furthermore, we configure the device with other active elements to realize integer multiplier and divider of a unit delay of a qubit. The quantum state tomography is performed on the retrieved photon and its entangled photon. We obtain a state fidelity > 94 % with a maximum storage time of 52 s with an insertion loss of 5.56 dB. To further characterize the storing and retrieving processes of the device, we perform entanglement-assisted quantum process tomography on the buffered qubit state. The process fidelity of the device is > 0.98. Our result implies that the device preserves the superposition and entanglement of a qubit state from a two-photon polarization-entangled state. This is a significant step towards facilitating applications in optical asynchronous transfer mode based quantum networks.

Fook Lee, Kim (ORCID:0000000290901640)↗
DOE OSTI2023

Toward DMC Accuracy Across Chemical Space with Scalable Δ-QML

In the past decade, quantum diffusion Monte Carlo (DMC) has been demonstrated to successfully predict the energetics and properties of a wide range of molecules and solids by numerically solving the electronic many-body Schrödinger equation. With O(N 3 ) scaling with the number of electrons N, DMC has the potential to be a reference method for larger systems that are not accessible to more traditional methods such as CCSD(T). Assessing the accuracy of DMC for smaller molecules becomes the stepping stone in making the method a reference for larger systems. We show that when coupled with quantum machine learning (QML)-based surrogate methods, the computational burden can be alleviated such that quantum Monte Carlo (QMC) shows clear potential to undergird the formation of high-quality descriptions across chemical space. We discuss three crucial approximations necessary to accomplish this: the fixed-node approximation, universal and accurate references for chemical bond dissociation energies, and scalable minimal amons-set-based QML (AQML) models. Numerical evidence presented includes converged DMC results for over 1000 small organic molecules with up to five heavy atoms used as amons and 50 medium-sized organic molecules with nine heavy atoms to validate the AQML predictions. Finally, numerical evidence collected for Δ-AQML models suggests that already modestly sized QMC training data sets of amons suffice to predict total energies with near chemical accuracy throughout chemical space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Nuclear effective field theory: Status and perspectives

The nuclear physics landscape has been redesigned as a sequence of effective field theories (EFTs) connected to the Standard Model through symmetries and lattice simulations of Quantum Chromodynamics (QCD). EFTs in this sequence are expansions around different low-energy limits of QCD, each with its own characteristics, scales, and ranges of applicability regarding energy and number of nucleons. We review each of the three main nuclear EFTs---Chiral, Pionless, Halo/Cluster---highlighting their similarities, differences, and connections. Here, in doing so, we survey the structural properties and reactions of nuclei that have been derived from the \abinitio solution of the few- and many-body problem built upon EFT input.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Quantum phase transition in CeCoIn 5 : Experimental facts and theory

Abstract The condensed-matter community is involved in a hot debate on the nature of quantum critical points (QCP) governing the low-temperature properties of heavy fermion metals. The smeared jump-like behavior revealed both in the residual resistivity and the Hall resistivity R H , along with the violation of the time invariance symmetry and the charge invariance , include the violation of quasiparticle-hole symmetry, and provide vital clues on the origin of both the non-Fermi-liquid behavior and QCP. For the first time, based on a number of important experimental data, we show that these experimental observations point out unambiguously that QCP of is accompanied by the symmetry violation, and QCP itself is represented by the topological fermion-condensation quantum phase transition (FCQPT) connecting two Fermi surfaces of different topological charges.

Physics↗
DOE OSTI2022

Ion Coulomb Crystals in Storage Rings for Quantum Information Science

Quantum information science is a growing field that promises to take computing into a new age of higher performance and larger scale computing as well as being capable of solving problems classical computers are incapable of solving. The outstanding issue in practical quantum computing today is scaling up the system while maintaining interconnectivity of the qubits and low error rates in qubit operations to be able to implement error correction and fault-tolerant operations. Trapped ion qubits offer long coherence times that allow error correction. However, error correction algorithms require large numbers of qubits to work properly. We can potentially create many thousands (or more) of qubits with long coherence states in a storage ring. For example, a circular radio-frequency quadrupole, which acts as a large circular ion trap and could enable larger scale quantum computing. Such a Storage Ring Quantum Computer (SRQC) would be a scalable and fault tolerant quantum information system, composed of qubits with very long coherence lifetimes. With computing demands potentially outpacing the supply of high-performance systems, quantum computing could bring innovation and scientific advances to particle physics and other DOE supported programs. Increased support of R$\&$D in large scale ion trap quantum computers would allow the timely exploration of this exciting new scalable quantum computer. The R$\&$D program could start immediately at existing facilities and would include the design and construction of a prototype SRQC. We invite feedback from and collaboration with the particle physics and quantum information science communities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Quantum Overlapping Tomography

It is now experimentally possible to entangle thousands of qubits, and efficiently measure each qubit in parallel in a distinct basis. To fully characterize an unknown entangled state of $\textit{n}$ qubits, one requires an exponential number of measurements in $\textit{n}$, which is experimentally unfeasible even for modest system sizes. By leveraging (i) that single-qubit measurements can be made in parallel, and (ii) the theory of perfect hash families, we show that all $\textit{k}$-qubit reduced density matrices of an $\textit{n}$ qubit state can be determined with at most $e^{\mathcal{O}}(k) \text{log}^2(n)$ rounds of parallel measurements. In this work, we provide concrete measurement protocols which realize this bound. As an example, we argue that with near-term experiments, every two-point correlator in a system of 1024 qubits could be measured and completely characterized in a few days. This corresponds to determining nearly 4.5 million correlators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective

Here we present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core units. A performance of over 100 teraFLOPs is achieved for half-precision floating point operations on Nvidia’s A100 tensor core units. The second-order recursive Fermi-operator scheme is formulated in terms of a generalized, differentiable deep neural network structure, which solves the quantum mechanical electronic structure problem. We demonstrate how this network can be accelerated by optimizing the weight and bias values to substantially reduce the number of layers required for convergence. We also show how this machine learning approach can be used to optimize the coefficients of the recursive Fermi-operator expansion to accurately represent the fractional occupation numbers of the electronic states at finite temperatures.

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

Reactions of Np(VI) and Pu(VI) with Phenanthroline Result in Bending the [NpVIO2]2+ Unit and a Reduced Pu(V) Species

Despite decades of actinyl chemistry, genuinely bent actinyl structures remain rare beyond uranium. We report the first crystallographic characterization of a bent neptunyl(VI) complex, NpO 2 Cl 2 (phen) 2, along with a linear plutonyl species that, unexpectedly, adopts the +V oxidation state. Coordination of two 1,10-phenanthroline ligands to NpO 2 2+ enforces pronounced bending of the O yl –Np–O yl unit to 162° through steric clashes with the axial phenathroline ligand, representing the sharpest angle reported for any neptunyl(VI) complex. In contrast, synthesis with PuO 2 2+ produces a reduced linear Pu(V) species, PuO 2 Cl(phen) 2, underscoring the redox lability and the reluctance of plutonium to distort. Raman and IR spectra yield the first experimental stretching and interaction force constants for plutonyl(V). Comparison with values for plutonyl(VI) and bent and linear uranyl(VI) and neptunyl(VI) compounds shows that reduction perturbs the actinyl bond more than bending within one oxidation state. Electrochemical and spectroscopic studies clarify phenanthroline binding to Pu(VI) and the system’s reactivity. Quantum chemical calculations indicate that bending is energetically favored in the U–Np–Pu series, but the stabilization energy decreases as the actinide atomic number increases. NBO and QTAIM analyses reveal systematic trends: increasing 5f occupancy and decreasing An–O yl bond covalency from U to Pu. These results demonstrate that ligand-induced bending in neptunyl(VI) species is not only electronically feasible but also synthetically achievable, though plutonyl(VI) is constrained by redox reactivity. This work expands the frontier of nonlinear actinyl chemistry and illuminates how structure, oxidation state, and electronic configuration interrelate across the actinyl series.

actinides↗
DOE OSTI2023

Synthesizing efficient circuits for Hamiltonian simulation

Abstract We provide an approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations. The total number of gates, especially CNOT, reduce in many cases. We show that it is possible to implement an exponentiated sum of commuting Paulis with at most m (controlled)-rotation gates, where m is the number of distinct non-zero eigenvalues (ignoring sign). Thus we can collect mutually commuting Hamiltonian terms into groups satisfying one of several symmetries identified in this work. This allows an inexpensive simulation of the entire group of terms. We further show that the cost can in some cases be reduced by partially allocating Hamiltonian terms to several groups and provide a polynomial time classical algorithm that can greedily allocate the terms to appropriate groupings.

Mukhopadhyay, Priyanka (ORCID:0000000164639100)↗
DOE OSTI2022

Pairwise Multiparticle States and the Monopole Unitarity Puzzle

We suggest a novel resolution for a decades old mystery-what happens when a positron scatters off a minimal grand-unification-theory monopole in an s wave, a puzzle first discussed by Callan in 1983. Using the language of on shell amplitudes and pairwise helicity we suggest that the final state contains two up quarks and a down quark in an entangled "pairwise" multiparticle state-the only particle final state that satisfies angular momentum and gauge charge conservation. The cross section for this process is as large as in the original Rubakov-Callan effect, only suppressed by the QCD scale. The final state we find cannot be seen in Callan's truncated 2D theory, since our new pairwise state appears only in more than two dimensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Sign Problem in Tensor-Network Contraction

We investigate how the computational difficulty of contracting tensor networks depends on the sign structure of the tensor entries. Using results from computational complexity, we observe that the approximate contraction of tensor networks with only positive entries has lower computational complexity as compared to tensor networks with general real or complex entries. This raises the question of how this transition in computational complexity manifests itself in the hardness of different tensor-network-contraction schemes. We pursue this question by studying random tensor networks with varying bias toward positive entries. First, we consider contraction via Monte Carlo sampling and find that the transition from hard to easy occurs when the tensor entries become predominantly positive; this can be understood as a tensor-network manifestation of the well-known negative-sign problem in quantum Monte Carlo. Second, we analyze the commonly used contraction based on boundary tensor networks. The performance of this scheme is governed by the number of correlations in contiguous parts of the tensor network (which by analogy can be thought of as entanglement). Remarkably, we find that the transition from hard to easy—i.e., from a volume-law to a boundary-law scaling of entanglement—already occurs for a slight bias of the tensor entries toward a positive mean, scaling inversely with the bond dimension D , and thus the problem becomes easy the earlier the larger D occurs. This is in contrast both to expectations and to the behavior found in Monte Carlo contraction, where the hardness at fixed bias increases with the bond dimension. To provide insight into this early breakdown of computational hardness and the accompanying entanglement transition, we construct an effective classical statistical-mechanical model that predicts a transition at a bias of the tensor entries of 1 / D , confirming our observations. We conclude by investigating the computational difficulty of computing expectation values of tensor-network wave functions (projected entangled-pair states, PEPSs) and find that in this setting, the complexity of entanglement-based contraction always remains low. We explain this by providing a local transformation that maps PEPS expectation values to a positive-valued tensor network. This not only provides insight into the origin of the observed boundary-law entanglement scaling but also suggests new approaches toward PEPS contraction based on positive decompositions. Published by the American Physical Society 2025

Chen, Jielun (ORCID:0000000178411545)↗
DOE OSTI2021

Gate Set Tomography

Gate set tomography (GST) is a protocol for detailed, predictive characterization of logic operations (gates) on quantum computing processors. Early versions of GST emerged around 2012-13, and since then it has been refined, demonstrated, and used in a large number of experiments. This paper presents the foundations of GST in comprehensive detail. The most important feature of GST, compared to older state and process tomography protocols, is that it is calibration-free . GST does not rely on pre-calibrated state preparations and measurements. Instead, it characterizes all the operations in a gate set simultaneously and self-consistently, relative to each other. Long sequence GST can estimate gates with very high precision and efficiency, achieving Heisenberg scaling in regimes of practical interest. In this paper, we cover GST's intellectual history, the techniques and experiments used to achieve its intended purpose, data analysis, gauge freedom and fixing, error bars, and the interpretation of gauge-fixed estimates of gate sets. Our focus is fundamental mathematical aspects of GST, rather than implementation details, but we touch on some of the foundational algorithmic tricks used in the pyGSTi implementation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Sequential optical response suppression for chemical mixture characterization

The characterization of mixtures of non-interacting, spectroscopically similar quantum components has important applications in chemistry, biology, and materials science. We introduce an approach based on quantum tracking control that allows for determining the relative concentrations of constituents in a quantum mixture, using a single pulse which enhances the distinguishability of components of the mixture and has a length that scales linearly with the number of mixture constituents. To illustrate the method, we consider two very distinct model systems: mixtures of diatomic molecules in the gas phase, as well as solid-state materials composed of a mixture of components. A set of numerical analyses are presented, showing strong performance in both settings.

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

Reducing the complexity of finite-temperature auxiliary-field quantum Monte Carlo

The auxiliary-field quantum Monte Carlo (AFMC) method is a powerful and widely used technique for ground-state and finite-temperature simulations of quantum many-body systems. Here we introduce several algorithmic improvements for finite-temperature AFMC calculations of dilute fermionic systems that reduce the computational complexity of most parts of the algorithm. This is principally achieved by reducing the number of single-particle states that contribute at each configuration of the auxiliary fields to a number that is of the order of the number of fermions. Our methods are applicable for both the canonical and grand-canonical ensembles. We demonstrate the reduced computational complexity of the methods for the homogeneous unitary Fermi gas.

67.85.Lm↗
DOE OSTI2024

Optimality and Noise Resilience of Critical Quantum Sensing

We compare critical quantum sensing to passive quantum strategies to perform frequency estimation, in the case of single-mode quadratic Hamiltonians. We show that, while in the unitary case both strategies achieve precision scaling quadratic with the number of photons, in the presence of dissipation this is true only for critical strategies. We also establish that working at the exceptional point or beyond threshold provides suboptimal performance. This critical enhancement is due to the emergence of a transient regime in the open critical dynamics, and is invariant to temperature changes. When considering both time and system size as resources, for both strategies the precision scales linearly with the product of the total time and the number of photons, in accordance with fundamental bounds. However, we show that critical protocols outperform optimal passive strategies if preparation and measurement times are not negligible. Our results are applicable to a broad variety of critical sensors whose phenomenology can be reduced to that of a single-mode quadratic Hamiltonian, including systems described by finite-component and fully connected models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Direct geometric probe of singularities in band structure

A quantum system’s energy landscape may have points where multiple energy surfaces are degenerate and that exhibit singular geometry of the wave function manifold, with major consequences for the system’s properties. Ultracold atoms in optical lattices have been used to indirectly characterize such points in the band structure. Here we measured the non-Abelian transformation produced by transport directly through the singularities. We accelerated atoms along a quasi-momentum trajectory that enters, turns, and then exits the singularities at linear and quadratic band-touching points of a honeycomb lattice. Measurements after transport identified the topological winding numbers of these singularities to be 1 and 2, respectively. Our work introduces a distinct method for probing singularities that enables the study of non-Dirac singularities in ultracold-atom quantum simulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗