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DOE OSTI2025

End–to–End Metasurface Design for Temperature Imaging via Broadband Planck‐Radiation Regression

A theoretical framework is presented for temperature imaging from long-wavelength infrared (LWIR) thermal radiation (e.g., 8–12 µm) through the end-to-end design of a metasurface-optics frontend and a computational-reconstruction backend. A new nonlinear reconstruction algorithm, “Planck regression”, is introduced to reconstruct the temperature map from a gray scale sensor image, even in the presence of severe chromatic aberration, by exploiting black body and optical physics particular to thermal imaging. This algorithm is combined with an end-to-end approach that optimizes manufacturable, single-layer metasurfaces to yield the most accurate reconstruction. The designs demonstrate high-quality, noise-robust reconstructions of arbitrary temperature maps (including completely random images) in simulations of an ultra-compact thermal-imaging device. Here, it is also shown that Planck regression is much more generalizable to arbitrary images than a straightforward neural-network reconstruction, which requires a large training set of domain-specific images.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Nonlinear encoding in diffractive information processing using linear optical materials

Nonlinear encoding of optical information can be achieved using various forms of data representation. Here, we analyze the performances of different nonlinear information encoding strategies that can be employed in diffractive optical processors based on linear materials and shed light on their utility and performance gaps compared to the state-of-the-art digital deep neural networks. For a comprehensive evaluation, we used different datasets to compare the statistical inference performance of simpler-to-implement nonlinear encoding strategies that involve, e.g., phase encoding, against data repetition-based nonlinear encoding strategies. We show that data repetition within a diffractive volume (e.g., through an optical cavity or cascaded introduction of the input data) causes the loss of the universal linear transformation capability of a diffractive optical processor. Therefore, data repetition-based diffractive blocks cannot provide optical analogs to fully connected or convolutional layers commonly employed in digital neural networks. However, they can still be effectively trained for specific inference tasks and achieve enhanced accuracy, benefiting from the nonlinear encoding of the input information. Our results also reveal that phase encoding of input information without data repetition provides a simpler nonlinear encoding strategy with comparable statistical inference accuracy to data repetition-based diffractive processors. Our analyses and conclusions would be of broad interest to explore the push-pull relationship between linear material-based diffractive optical systems and nonlinear encoding strategies in visual information processors.

42 ENGINEERING↗

DOE OSTI2024

Thin-film lithium niobate electro-optic terahertz wave detector

Here, the design, fabrication, and validation of a thin-film lithium niobate on insulator (LNOI) electro-optic (EO) time-domain terahertz (THz) wave detector is reported. LNOI offers unprecedented properties for the EO detection of freely propagating THz wave radiation pulses and transient electric fields because of the large EO coefficient of the material, engineering of the velocity matching of the THz wave and optical wave, and much reduced detector size. The proof-of-concept device is realized using thin-film lithium niobate optical waveguides forming a Mach–Zehnder interferometer with interferometer arms electrically poled in opposite directions. THz waves are coupled effectively to the fully dielectric device from free space without using antennas or plasmonics. The detection of THz waves with frequencies up to 800 GHz is successfully demonstrated. The detector allows for the detection of THz frequency electric fields up to 4.6 MV/m. The observed frequency response of the device agrees well with theoretical predictions.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Magnetically dependent photovoltages in permalloy films and gratings

Significant photoinduced voltages observed in permalloy structures consist of two contributions with different origins, which depend on illumination conditions, structure geometry and magnetic field in distinct ways. The first component is the plasmon drag effect voltage closely associated with plasmon propagation. The second contribution is magnetically dependent and can be related to photoinduced gradients in the sample temperature and spin polarization. Possible mechanisms of the effect are discussed

36 MATERIALS SCIENCE↗

DOE OSTI2022

UV-induced dissociation of CH 2 BrI probed by intense femtosecond XUV pulses

The ultraviolet (UV)-induced dissociation and photofragmentation of gas-phase CH 2 BrI molecules induced by intense femtosecond extreme ultraviolet (XUV) pulses at three different photon energies are studied by multi-mass ion imaging. Using a UV-pump–XUV-probe scheme, charge transfer between highly charged iodine ions and neutral CH 2 Br radicals produced by C–I bond cleavage is investigated. In earlier charge-transfer studies, the center of mass of the molecules was located along the axis of the bond cleaved by the pump pulse. In the present case of CH 2 BrI, this is not the case, thus inducing a rotation of the fragment. We discuss the influence of the rotation on the charge transfer process using a classical over-the-barrier model. Our modeling suggests that, despite the fact that the dissociation is slower due to the rotational excitation, the critical interatomic distance for charge transfer is reached faster. Furthermore, we suggest that charge transfer during molecular fragmentation may be modulated in a complex way.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

A Dirac R-matrix calculation for the electron-impact excitation of W +

Abstract Aims : tungsten has been chosen for use as a plasma facing component in the divertor for the ITER experiment, and is currently being used on existing tokamaks such as JET. W + plays an integral role in assessing the impurity influx from plasma facing component of tokamaks and subsequent redeposition. Together with previously calculated a neutral tungsten electron-impact dataset this study allows us to determine neighbouring spectral lines in the same wavelength window of the spectrometer, and detect if there is strong blending of overlapping lines between these two ion stages as well as providing ionisation per photon ratios for both species. The new data is to be used for tungsten erosion/redeposition diagnostics. Methods : a significantly modified version of the GRASP0 atomic structure code in conjunction with DARC (Dirac Atomic R -matrix Code) are used to calculate the Einstein A coefficients and collisional rates used to generate a synthetic W II spectrum. The W II spectrum is compared against tungsten spectral emission experiments. Results : this study is used to model the spectrum of W ii , providing the predictive capability of identifying spectral lines from recent experiments. These results provide an integral part of impurity influx and redeposition determination, as the ionisation rates may be used to calculate S/XB ratios.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Anomalous ellipticity dependence of the generation of near-threshold harmonics in noble gases

We measured the ellipticity dependence of the harmonic yield of He, Ne, Ar, Kr, and Xe. It is found that the harmonic yield in general decreases monotonically with increasing laser ellipticity but anomalous dependence does occur for each atom for some harmonic orders. Additionally, we found that the degree of anomaly is weakest in helium but is stronger for the heavier atoms. The anomaly also depends on laser intensity. To explain these features, we developed a quantum trajectory Monte Carlo (QTMC) model based on the quantum path integral theory to study high-order harmonic generation (HHG). The model includes the effect of Coulomb potential from the target ion, thus it is capable of calculating near-threshold harmonics quantitatively. This model reveals that the presence of Coulomb potential would generate orbiting trajectories which are responsible for the anomalous ellipticity dependence near the threshold.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Phase-engineered bosonic quantum codes

Continuous-variable systems protected by bosonic quantum codes have emerged as a promising platform for quantum information. To date, the design of code words has centered on optimizing the state occupation in the relevant basis to generate the distance needed for error correction. Here, we show tuning the phase degree of freedom in the design of code words can affect, and potentially enhance, the protection against Markovian errors that involve excitation exchange with the environment. As illustrations, we first consider phase engineering bosonic codes with uniform spacing in the Fock basis that correct excitation loss with a Kerr unitary and show that these modified codes feature destructive interference between error code words and, with an adapted “two-level” recovery, the error protection is significantly enhanced. We then study protection against energy decay with the presence of mode nonlinearities and analyze the role of phase for optimal code designs. As a result, we extend the principle of phase engineering to bosonic codes defined in other bases and multiqubit codes, demonstrating its broad applicability in quantum error correction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Decomposition of high-rank factorized unitary coupled-cluster operators using ancilla and multiqubit controlled low-rank counterparts

The factorized form of the unitary coupled-cluster (UCC) approximation is one of the most promising methodologies to prepare trial states for strongly correlated systems within the variational quantum eigensolver framework. The factorized form of the UCC Ansatz can be systematically applied to a reference state to generate the desired entanglement. The difficulty associated with such an approach is the requirement of simultaneously entangling a growing number of qubits, which quickly exceeds the hardware limitations of today's quantum machines. In particular, while circuits for singles and double excitations can be performed on current hardware, higher-rank excitations require too many gate operations. In this work, we propose a set of schemes that trade off using extra qubits for a reduced gate depth to decompose high-rank UCC excitation operators into significantly lower depth circuits. These results will remain useful even when fault-tolerant machines are available to reduce the overall state-preparation circuit depth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Quantum advantage for noisy channel discrimination

Many quantum mechanical experiments can be viewed as multiround interactive protocols between known quantum circuits and an unknown quantum process. Fully quantum “coherent” access to the unknown process is known to provide an advantage in many discrimination tasks compared to when only incoherent access is permitted, but it is unclear if this advantage persists when the process is noisy. Here, we show that a quantum advantage can be maintained when distinguishing between two noisy single-qubit rotation channels. Numerical and analytical calculations reveal a distinct transition between the performance of fully coherent and fully incoherent protocols as a function of noise strength. Moreover, the size of the region of coherent quantum advantage shrinks inverse polynomially in the number of channel uses, and in an intermediate regime an improved strategy is a hybrid of fully coherent and fully incoherent subroutines. The fully coherent protocol is based on quantum signal processing, suggesting a generalizable algorithmic framework for the study of quantum advantage in the presence of realistic noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Quantum advantages for Pauli channel estimation

We show that entangled measurements provide an exponential advantage in sample complexity for Pauli channel estimation, which is both a fundamental problem and a practically important subroutine for benchmarking near-term quantum devices. The specific task we consider is to simultaneously learn all the eigenvalues of an n-qubit Pauli channel to ±ε precision. We give an estimation protocol with an n-qubit ancilla that succeeds with high probability using only O(n/ε 2 ) copies of the Pauli channel, while proving that any ancilla-free protocol (possibly with adaptive control and channel concatenation) would need at least Ω(2 n/3 ) rounds of measurement. We further study the advantages provided by a small number of ancillas. For the case that a k-qubit ancilla (k≤n) is available, we obtain a sample complexity lower bound of Ω(2 (n-k)/3 ) for any nonconcatenating protocol, and a stronger lower bound of Ω(n 2n-k ) for any nonadaptive, nonconcatenating protocol, which is shown to be tight. We also show how to apply the ancilla-assisted estimation protocol to a practical quantum benchmarking task in a noise-resilient and sample-efficient manner, given reasonable noise assumptions. Our results provide a practically interesting example for quantum advantages in learning and also bring insights for quantum benchmarking.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Optimized low-depth quantum circuits for molecular electronic structure using a separable-pair approximation

We present a classically tractable model that leads to optimized low-depth quantum circuits leveraging separable-pair approximations. The obtained circuits are well suited as a baseline circuit for emerging quantum hardware and can, in the long term, provide significantly improved initial states for quantum algorithms. The associated wave functions can be represented with linear memory requirement, which allows classical optimization of the circuits and naturally defines a minimum benchmark for quantum algorithms. In this work we employ directly determined pair-natural orbitals within a basis-set-free approach. This leads to accurate representation of the one- and many-body parts for weakly correlated systems and we explicitly illustrate how the model can be integrated into other quantum algorithms for stronger correlated systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Dual-map framework for noise characterization of quantum computers

In order to understand the capabilities and limitations of quantum computers, it is necessary to develop methods that efficiently characterize and benchmark error channels present on these devices. In this paper, we present a method that faithfully reconstructs a marginal (local) approximation of the effective noise (MATEN) channel, that acts as a single layer at the end of the circuit. We first introduce a dual-map framework that allows us to analytically derive expectation values of observables with respect to noisy circuits. These findings are supported by numerical simulations of the quantum approximate optimization algorithm (QAOA) that also justify the MATEN, even in the presence of nonlocal errors that occur during a circuit. Finally, we demonstrate the performance of the method on Rigetti's Aspen-11 quantum computer for QAOA circuits up to six qubits, successfully predicting the observed measurements on a majority of the qubits.

Sud, James↗

DOE OSTI2022

Qubit control noise spectroscopy with optimal suppression of dephasing

Here, we extend quantum noise spectroscopy (QNS) of amplitude control noise to settings where dephasing noise or detuning errors make significant contributions to qubit dynamics. Previous approaches to characterize amplitude noise are limited by their vulnerability to low-frequency dephasing noise and static detuning errors, which can overwhelm the target control noise signal and introduce bias into estimates of the amplitude noise spectrum. To overcome this problem, we leverage optimal control to identify a family of amplitude control waveforms that optimally suppress low-frequency dephasing noise and detuning errors, while maintaining the spectral concentration in the amplitude filter essential for spectral estimation. The waveforms found via numerical optimization have surprisingly simple analytic forms, consisting of oscillating sine waves obeying particular amplitude and frequency constraints. In numerically simulated QNS experiments, these waveforms demonstrate superior robustness, enabling accurate estimation of the amplitude noise spectrum in regimes where existing approaches are biased by low-frequency dephasing noise and detuning errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Dynamic attenuation scheme in measurement-device-independent quantum key distribution over turbulent channels

Measurement-device-independent quantum key distribution (MDI QKD) offers great security in practice because it removes all detector side channels. However, conducting MDI QKD over free-space channels is challenging. One of the largest culprits is the mismatched transmittance of the two independent turbulent channels causing a reduced Hong-Ou-Mandel visibility and thus a lower secret key rate. Here we introduce a dynamic attenuation scheme, where the transmittance of each of the two channels is monitored in real time by transmitting bright light pulses from each users to the measurement device. Based on the measured channel transmittance, a suitable amount of attenuation is introduced to the low-loss channel at the measurement device. Our simulation results show a significant improvement of QKD performance, especially when using short raw keys.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Quantum simulations of hydrodynamics via the Madelung transformation

Developing numerical methods to simulate efficiently nonlinear fluid dynamics on universal quantum computers is a challenging problem. In this paper, a generalization of the Madelung transform is defined to solve quantum relativistic charged fluid equations interacting with external electromagnetic forces via the Dirac equation. The Dirac equation is discretized into discrete-time quantum walks which can be efficiently implemented on universal quantum computers. A variant of this algorithm is proposed to implement simulations using current noisy intermediate scale quantum (NISQ) devices in the case of homogeneous external forces. High resolution (up to N=2 17 grid points) numerical simulations of relativistic and nonrelativistic hydrodynamical shocks on current IBM NISQs are performed with this algorithm. Here, this paper demonstrates that fluid dynamics can be simulated on NISQs, and opens the door to simulating other fluids, including plasmas, with more general quantum walks and quantum automata.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Statistical analysis on random quantum circuit sampling by Sycamore and Zuchongzhi quantum processors

Random quantum circuit sampling, a task to sample bit strings from a random quantum circuit, is considered a suitable benchmark task to demonstrate the outperformance of quantum computers even with noisy qubits. Recently, random quantum circuit sampling was performed on the Sycamore quantum processor with 53 qubits [Nature (London) 574, 505 (2019)] and on the Zuchongzhi quantum processor with 56 qubits [Phys. Rev. Lett. 127, 180501 (2021)]. Here, we analyze and compare the statistical properties of the outputs of the random quantum circuit sampling by the Sycamore and Zuchongzhi processors. Using the Marchenko-Pastur law of random matrices of bit strings and the Wasssertein distances between bit strings, we find that the statistical properties of Sycamore bit strings are quite different from those of Zuchongzhi bit strings, while both processors score similar values of linear cross-entropy fidelity for random circuit sampling. Some bit strings sampled by the Zuchongzhi processor pass the NIST random number tests while both Sycamore and Zuchongzhi processors show similar patterns in the heat maps of bit strings. Zuchongzhi bit strings are much closer to classical uniform random bits than those of Sycamore. It is shown that the statistical properties of bit strings of both random quantum circuits change little as the depth of the random quantum circuits increases. Our findings raise a question about the computational reliability of noisy quantum processors because two quantum processors with similar noise levels and similar qubit structures produced statistically different outputs for the same random quantum circuit sampling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Theory of magnon polaritons in quantum Ising materials

Here, we present a theory of magnon-polaritons in quantum Ising materials, and develop a formalism describing the coupling between light and matter as an Ising system is tuned through its quantum critical point. The theory is applied to Ising materials having multilevel single-site Hamiltonians, in which multiple magnon modes are present, such as the insulating Ising magnet LiHoF 4 . We find that the magnon-photon coupling strengths may be tuned by the applied transverse field, with the coupling between the soft mode present in the quantum Ising material and a photonic resonator mode diverging at the quantum critical point of the material. A fixed system of spins will not exhibit the diamagnetic response expected when light is coupled to mobile spins or atoms. Without the diamagnetic response, one expects a divergent magnon-photon coupling strength to lead to a superradiant quantum phase transition. However, this neglects the effects of damping and decoherence present in any real system. We show that damping and decoherence may block the superradiant quantum phase transition, and lead to weak coupling between the soft magnon mode and the resonator mode. The results of the theory are applied to experimental data on the model system LiHoF 4 in a microwave resonator.

74 ATOMIC AND MOLECULAR PHYSICS↗