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Atomic-Layer-Deposited Aluminum Oxide Thin Films Probed with X-ray Scattering and Compared to Molecular Dynamics and Density Functional Theory Models

A better understanding of amorphous aluminum oxide’s structure and electronic properties is obtained through combined experimental and computational approaches. Grazing incidence X-ray scattering measurements were carried out on aluminum oxide thin films grown using thermal atomic layer deposition. The corresponding pair distribution functions (PDFs) showed structures similar to previously reported PDFs of solid-state amorphous alumina and molten alumina. Structural models based on crystalline alumina polymorphs (PDFgui) and amorphous alumina (molecular dynamics, MD) were examined for structural comparisons to the experimental PDF data. Smaller MD models were optimized and verified against larger models to allow for quantum chemical electronic structure calculations. The electronic structure of the amorphous alumina models yields additional insight into the band structure and electronic defects present in amorphous alumina that are not present in crystalline samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Robust Design Under Uncertainty in Quantum Error Mitigation

Error mitigation techniques are crucial to achieving near-term quantum advantage. Classical postprocessing of quantum computation outcomes is a popular approach for error mitigation, which includes methods, such as zero noise extrapolation, virtual distillation, and learning-based error mitigation. However, these techniques have limitations due to the propagation of uncertainty resulting from the finite shot number of a quantum measurement. In this work, we introduce general and unbiased methods for quantifying the uncertainty and error of error-mitigated observables based on the strategic sampling of error mitigation outcomes. We then extend our approach to demonstrate the optimization of performance and robustness of error mitigation under uncertainty. To illustrate our methods, we apply them to zero noise extrapolation and Clifford date regression in the ground state of the XY model simulated using depolarizing and International Business Machines Corporation (IBM) Toronto noise models, respectively. In particular, we optimize the choice of noise levels and the allocation of shots for zero noise extrapolation and the distribution of the training circuits for Clifford data regression. While our methods are readily applicable to any postprocessing-based error mitigation approach, in practice they must not be prohibitively expensive—even though they perform optimizations of the error mitigation hyperparameters requiring sampling of a statistical distribution of error mitigation outcomes. By leveraging surrogate-based optimization, we show that our methods can efficiently perform optimal design for a zero noise extrapolation implementation. We then further demonstrate the transferability of learned zero noise extrapolation hyperparameters to other similar circuits.

97 MATHEMATICS AND COMPUTING↗

Wildfire Segmentation From Remotely Sensed Data Using Quantum-Compatible Conditional Vector Quantized-Variational Autoencoders

Wildfires represent a critical environmental hazard with multifaceted implications for ecosystems, communities, and public health [1]. The escalating frequency and intensity of wildfires globally have intensified the urgency for robust segmentation methodologies to facilitate effective mitigation, response, and recovery strategies [2]. Accurate wildfire segmentation is pivotal for delineating fire boundaries, assessing progression patterns, and prioritizing resource allocation during emergency scenarios. Furthermore, precise segmentation enables stakeholders, including policymakers, environmental scientists, and emergency responders, to formulate evidence-based strategies, thereby minimizing socio-economic disruptions and ecological degradation. Consequently, advancing wildfire segmentation techniques through innovative technological interventions remains a paramount research imperative. Although foundational in wildfire segmentation, traditional deterministic models exhibit inherent limitations that compromise their efficacy in dynamic and uncertain environments. These models often operate on rigid algorithms prioritizing deterministic classifications, thereby overlooking the inherent complexities and uncertainties associated with wildfire behavior and satellite data variability. Such deterministic frameworks tend to produce oversimplified representations that fail to capture the intricate nuances of evolving fire dynamics, spatial heterogeneity, and environmental interactions [1]. Consequently, the deterministic approach’s propensity for uncertainty collapsing [1, 3] hampers the accuracy, reliability, and applicability of segmentation outcomes in real-world scenarios. Contrastingly, stochastic models offer a more nuanced and adaptable framework for wildfire segmentation. By integrating probabilistic elements into the modeling paradigm, stochastic approaches, particularly probabilistic approaches such as variational auto encoders (VAEs) [4], facilitate comprehensive uncertainty assessment, enabling researchers to quantify and incorporate uncertainties into segmentation outcomes effectively. This probabilistic nature empowers stochastic models to encapsulate variability, account for data inconsistencies, and adapt to evolving environmental conditions, enhancing segmentation accuracy, reliability, and robustness. Embracing stochastic methodologies thus catalyzes advancements in wildfire science by fostering a more holistic, adaptive, and resilient segmentation framework. Despite VAEs demonstrating significant promise in various applications, they come with inherent limitations that have garnered attention within the machine learning community. One of the primary drawbacks lies in their reliance on static priors, which essentially assume a fixed distribution for latent variables, thereby limiting the model’s flexibility to capture complex data structures effectively [5]. This static nature leads to suboptimal representations, especially when dealing with complex and high-dimensional data. Additionally, VAEs often struggle with generating sharp and realistic samples, a phenomenon commonly referred to as mode collapse [5, 7, 6]. Furthermore, the optimization process in VAEs, which involves balancing the reconstruction loss and the regularization term, can sometimes be challenging to fine-tune [7]. In recent efforts to address these shortcomings, alternative approaches like Vector Quantized Variational Auto encoders(VQ-VAEs) [7], address the challenges by incorporating discrete latent variables and leveraging techniques that enhance the quality and diversity of generated samples while maintaining efficient training dynamics. VQ-VAEs propose a dynamic prior distribution generation mechanism that diverges from the static priors commonly associated with traditional VAEs. This dynamic approach allows for more adaptive and context-aware latent variable representations, thereby potentially capturing complex data structures more effectively. Unlike autoregressive prior models such as PixelCNN, which, despite their ability to model dependencies across data dimensions, suffer from significant computational inefficiencies and lack flexibility in handling diverse datasets. In our work, we propose to use a generative quantum-compatible approach to help alleviate the shortcomings of autoregressive prior model in VQ-VAEs. Restricted Boltzmann Machines (RBMs) are a viable alternative prior model that can learn prior distributions in a faster and more flexible manner. In this research endeavor, we meticulously curate a state-of-the-art dataset leveraging satellite MODIS data in conjunction with VIIRS fire masks, derived from Fire Radiative Power (FRP), thereby encapsulating diverse wildfire scenarios and environmental contexts. We developed a conditional VQ-VAE architecture with the RBM prior model that is trained in a supervised manner for segmenting wildfire masks. This innovative approach synergistically harnesses deep learning capabilities, enabling the generation of segmentation maps characterized by heightened precision, granularity, and contextual relevance. Furthermore, replacing the autoregressive prior learning method proposed by the original VQ-VAE with a prior density approximation via quantum-compatible RBM facilitates expedited inference processes, augments flexibility in prior sampling, optimizes computational efficiency and establishes a groundbreaking benchmark in wildfire segmentation methodologies.

quantum machine learning↗

Strong-field QED limitations on TeV-class plasma wakefield accelerators

We demonstrate that quantum and classical radiation effects can become non-negligible for TeV-class beams propagating through plasma channels typical of staged plasma accelerators. Although the quantum nonlinearity parameter χ e remains small under currently envisioned experimental conditions, the cumulative influence of radiation over long acceleration distances can lead to significant modifications to the beam’s energy spread, emittance, and polarization. Our analytic models, validated by particle-in-cell simulations, highlight that for standard Gaussian beams, the orbit-induced energy spread dominates over quantum stochastic effects but can be mitigated by tailoring the beam profile, for example, through ring-shaped transverse distributions. In regimes where the radiation reaction approaches the accelerating force, the emittance may be cooled, forming distinctive ring-shaped phase-space structures. Finally, we analyze the influence of the radiation effect on spin transport inside the wakefield. These findings underscore the importance of considering both classical and quantum radiation dynamics in the design and optimization of future high-intensity plasma accelerators.

accelerator↗

ARQUIN: Architectures for Multinode Superconducting Quantum Computers

Many proposals to scale quantum technology rely on modular or distributed designs wherein individual quantum processors, called nodes, are linked together to form one large multinode quantum computer (MNQC). One scalable method to construct an MNQC is using superconducting quantum systems with optical interconnects. However, internode gates in these systems may be two to three orders of magnitude noisier and slower than local operations. Surmounting the limitations of internode gates will require improvements in entanglement generation, use of entanglement distillation, and optimized software and compilers. Still, it remains unclear what performance is possible with current hardware and what performance algorithms require. In this article, we employ a systems analysis approach to quantify overall MNQC performance in terms of hardware models of internode links, entanglement distillation, and local architecture. We show how to navigate tradeoffs in entanglement generation and distillation in the context of algorithm performance, lay out how compilers and software should balance between local and internode gates, and discuss when noisy quantum internode links have an advantage over purely classical links. Here, we find that a factor of 10–100× better link performance is required and introduce a research roadmap for the co-design of hardware and software towards the realization of early MNQCs. While we focus on superconducting devices with optical interconnects, our approach is general across MNQC implementations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Improved techniques for outgoing wave variational principle calculations of converged state-to-state transition probabilities for chemical reactions

Improved techniques and well-optimized basis sets are presented for application of the outgoing wave variational principle to calculate converged quantum mechanical reaction probabilities. They are illustrated with calculations for the reactions D + H2 yields HD + H with total angular momentum J = 3 and F + H2 yields HF + H with J = 0 and 3. The optimization involves the choice of distortion potential, the grid for calculating half-integrated Green's functions, the placement, width, and number of primitive distributed Gaussians, and the computationally most efficient partition between dynamically adapted and primitive basis functions. Benchmark calculations with 224-1064 channels are presented.

Mielke, Steven L.↗

Parameter Transfer for Quantum Approximate Optimization of Weighted MaxCut

Finding high-quality parameters is a central obstacle to using the quantum approximate optimization algorithm (QAOA). Previous work partially addresses this issue for QAOA on unweighted MaxCut problems by leveraging similarities in the objective landscape among different problem instances. However, we show that the more general weighted MaxCut problem has significantly modified objective landscapes, with a proliferation of poor local optima. Our main contribution is a simple rescaling scheme that overcomes these deleterious effects of weights. Here we show that for a given QAOA depth, a single “typical” vector of QAOA parameters can be successfully transferred to weighted MaxCut instances. This transfer leads to a median decrease in the approximation ratio of only 2.0 percentage points relative to a considerably more expensive direct optimization on a dataset of 34,701 instances with up to 20 nodes and multiple weight distributions. This decrease can be reduced to 1.2 percentage points at the cost of only 10 additional QAOA circuit evaluations with parameters sampled from a pretrained metadistribution, or the transferred parameters can be used as a starting point for a single local optimization run to obtain approximation ratios equivalent to those achieved by exhaustive optimization in 96.35% of our cases.

97 MATHEMATICS AND COMPUTING↗

Unified and optimal frame choice for generalized parton distributions

Reconstructing the internal three-dimensional quark and gluon structures of hadrons through generalized parton distributions (GPDs) from hard exclusive scattering processes is one of the most challenging tasks in nuclear and particle physics. In this paper, we introduce a new optimized reference frame that, for the first time, enables a unified view of all the reactions sensitive to GPDs and facilitates the interpretation of a variety of phase-space patterns that were previously hardly accessible and interpretable. Similarly to how the heliocentric description advanced our understanding of the solar system and gravitation, our new frame centers around a quasireal state, allows for a consistent separation of physical scales, and reveals a novel quantum interference mechanism. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Globally optimal interferometry with lossy twin Fock probes

Parity or quadratic spin (e.g., J z 2 ) readouts of a Mach–Zehnder (MZ) interferometer probed with a twin Fock (TF) input state allow saturating the optimal sensitivity attainable among all mode-separable states with a fixed total number of particles but only when the interferometer phase θ is near zero. When more general Dicke state probes are used, the parity readout saturates the quantum Fisher information (QFI) at θ = 0, whereas better-than-standard quantum limit performance of the J z 2 readout is restricted to an o ( N ) occupation imbalance. We show that a method of moments readout of two quadratic spin observables J z 2 and J + 2 + J − 2 is globally optimal for Dicke state probes; i.e., the error saturates the QFI for all θ . In the lossy setting, we derive the time-inhomogeneous Markov process describing the effect of particle loss on TF states, showing that the method of moments readout of four at-most-quadratic spin observables is sufficient for globally optimal estimation of θ when two or more particles are lost. The analysis culminates in a numerical calculation of the QFI matrix for distributed MZ interferometry on the four-mode state | N 4 , N 4 , N 4 , N 4 〉 and its lossy counterparts, showing that an advantage for the estimation of any linear function of the local MZ phases θ 1 and θ 2 (compared to independent probing of the MZ phases by two copies of | N 4 , N 4 〉 ) appears when more than one particle is lost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum metrology timing limits of the Hong-Ou-Mandel interferometer and of general two-photon measurements

We examine the precision limits of Hong-Ou-Mandel (HOM) timing measurements, as well as precision limits applying to generalized two-photon measurements. As a special case, we consider the use of two-photon measurements using photons with variable bandwidths and frequency correlations. When the photon bandwidths are not equal, maximizing the measurement precision involves a trade-off between high interference visibility and strong frequency anticorrelations, with the optimal precision occurring when the photons share non-maximal frequency anticorrelations. We show that a generalized measurement has precision limits that are qualitatively similar to those of the HOM measurement whenever the generalized measurement is insensitive to the net delay of both photons. Finally, by examining the performance of states with more general frequency distributions, our analysis allows for engineering of the joint spectral amplitude for use in realistic situations, in which both photons may not have ideal spectral properties.

79 ASTRONOMY AND ASTROPHYSICS↗

CRADA Number NFE-24-10110 with Qubit Engineering Inc. (CRADA Final Report)

Over the past year, the Qubit Engineering team has pushed the frontiers of power‑grid optimization, working in close collaboration with Oak Ridge National Laboratory (ORNL) and the Tennessee Valley Authority (TVA). Their progress is reflected in three newly submitted conference papers, “Unified Relational GNN Architecture for AC Optimal Power Flow Calculations in Electric Grids,” “Graph‑Based Attention Mechanisms for Solving the AC Optimal Power Flow Problem in Electrical‑Power Networks,” and “Enhanced Power‑Grid Maintenance Planning and Quantum‑Inspired Combinatorial Prospects.” These publications showcase state‑of‑the‑art graph‑neural‑network methods for AC‑OPF and novel quantum‑inspired heuristics for maintenance scheduling. Beyond the academic results, the Qubit team has converted the research into two production‑grade tools built on TVA data: Neuro‑Grid, an AI‑driven power‑flow simulator that provides instant, interactive full‑grid load‑flow visualizations, and Quanta‑Grid, a quantum‑inspired maintenance‑scheduling engine to support logistics optimization for power utilities. Together, these advances demonstrate how Qubit’s partnership with ORNL and TVA is delivering practical, physics‑grounded analytics for next‑generation grid management.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High-intensity polarized electron gun featuring distributed Bragg reflector GaAs photocathode

The polarized electron source is a critical component in accelerator facilities such as the electron–ion collider, which requires a polarized electron gun with higher voltage and higher bunch charge than existing sources. One challenge we faced was the surface charge limit of the distributed Bragg reflector GaAs/GaAsP superlattice (DBR-SL-GaAs) photocathode. We suppressed this effect by optimizing the surface doping and heat cleaning procedures. We achieved up to 11.6 nC bunch charge of polarized electron beam. In this report, we discuss the performance of tests of a DBR-SL-GaAs photocathode in the high voltage direct current gun. Possible reasons for the observed peak quantum efficiency wavelength shift are analyzed, and we addressed it by using a wavelength tunable laser. In addition, the impact of the DBR layer and laser on the lifetime is investigated in this paper. The optimal DBR-SL-GaAs operating zone has been proposed, which gave us a long lifetime and high polarization at 30 μA operation. Finally, the success of this polarized gun will be key to the future of the nuclear sciences.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Recent Developments and Applications of Quantum Well Infrared Photodetector Focal Plane Arrays

There are many applications that require long wavelength, large, uniform, reproducible, low cost, stable, and radiation-hard infrared (IR) focal plane arrays (FPAs). For example, the absorption lines of many gas molecules, such as ozone, water, carbon monoxide, carbon dioxide, and nitrous oxide occur in the wavelength region from 3 to 18 micron. Thus, IR imaging systems that operate in the long wavelength IR (LWIR) region (6 - 18 micron) are required in many space borne applications such as monitoring the global atmospheric temperature profiles, relative humidity profiles, cloud characteristics, and the distribution of minor constituents in the atmosphere which are being planned for future NASA Earth and planetary remote sensing systems. Due to higher radiation hardness, lower 1/f noise, and larger array size the GaAs based Quantum Well Infrared Photodetector (QWIP) FPAs are very attractive for such space borne applications compared to intrinsic narrow band gap detector arrays. In this presentation we will discuss the optimization of the detector design, material growth and processing that has culminated in realization of large format long-wavelength QWIP FPAs, portable and miniature LWIR cameras, holding forth great promise for myriad applications in 6-18 micron wavelength range in science, medicine, defense and industry. In addition, we will present some system demonstrations using broadband, two-color, and high quantum efficiency long-wavelength QWIP FPAs.

Gunapala, S. D.↗

Enhanced quantum state transfer by circumventing quantum chaotic behavior

The ability to realize high-fidelity quantum communication is one of the many facets required to build generic quantum computing devices. In addition to quantum processing, sensing, and storage, transferring the resulting quantum states demands a careful design that finds no parallel in classical communication. Existing experimental demonstrations of quantum information transfer in solid-state quantum systems are largely confined to small chains with few qubits, often relying upon non-generic schemes. Here, by using a superconducting quantum circuit featuring thirty-six tunable qubits, accompanied by general optimization procedures deeply rooted in overcoming quantum chaotic behavior, we demonstrate a scalable protocol for transferring few-particle quantum states in a two-dimensional quantum network. These include single-qubit excitation, two-qubit entangled states, and two excitations for which many-body effects are present. Our approach, combined with the quantum circuit’s versatility, paves the way to short-distance quantum communication for connecting distributed quantum processors or registers, even if hampered by inherent imperfections in actual quantum devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Active learning enables generation of molecules that advance the known Pareto front

Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the properties of the structures represented in the training distribution. We find that this limitation arises not only from the molecule generation process itself, but also from the poor generalization capabilities of molecular property predictors. We address this challenge by creating a closed-loop molecule generation pipeline with iterative retraining on new quantum chemical simulation data. Compared against static, single-pass generative modeling approaches, only our closed-loop iterative workflow generates molecules with properties extending beyond the training distribution (up to 0.44 standard deviations beyond the original range) and achieves a 79% improvement in out-of-distribution molecule classification accuracy. Furthermore, by conditioning molecular generation on thermodynamic stability data obtained during the iterative loop, the proportion of stable and hence potentially synthesizable molecules generated is 3.5x higher than the next-best model.

Chemistry↗

The ILRS: Approaching 20 Years and Planning for the Future

The International Laser Ranging Service (ILRS) was established by the International Association of Geodesy (IAG) in 1998 to support programs in geodesy, geophysics, fundamental constants and lunar research, and to provide the International Earth Rotation Service with data products that are essential to the maintenance and improvement in the International Terrestrial Reference Frame (ITRF), the basis for metric measurements of changes in the Earth and Earth–Moon system. Other scientific products derived from laser ranging include precise geocentric positions and motions of ground stations, satellite orbits, components of Earth’s gravity field and their temporal variations, Earth Orientation Parameters, precise lunar ephemerides and information about the internal structure of the Moon. Laser ranging systems are already measuring the one-way distance to remote optical receivers in space and are performing very accurate time transfer between remote sites in the Earth and in Space. The ILRS works closely with the IAG’s Global Geodetic Observing System. The ILRS develops (1) the standards and specifications necessary for product consistency, and (2) the priorities and tracking strategies required to maximize network efficiency. The service collects, merges, analyzes, archives and distributes satellite and lunar laser ranging data to satisfy a variety of scientific, engineering, and operational needs and encourages the application of new technologies to enhance the quality, quantity, and cost effectiveness of its data products. The ILRS works with (1) new satellite missions in the design and building of retroreflector targets to maximize data quality and quantity, and (2) science programs to optimize scientific data yield. Since its inception, the ILRS has grown to include forty laser ranging stations distributed around the world. The ILRS stations track more than ninety satellites from low Earth orbit (LEO) to the geosynchronous orbit altitude as well as retroreflector arrays on the surface of the Moon. Applications have been expanded to include time transfer, asynchronous ranging for targets at extended ranges, free space quantum telecommunications, and the tracking of space debris. Laser ranging technology is moving to lower energy, higher repetition rates (kHz), single-photon-sensitive detectors, shorter pulse widths, shorter normal point intervals for faster data acquisition, and increased pass interleaving, automated to autonomous operation with remote access, and embedded software for real-time updates and decision making. An example of pass interleaving is presented for the Yarragadee station (see Fig. 4); tracking of LEO satellites is often accommodated during break in LEO and GNSS passes. New satellites arrays provide more compact targets and work continues on the development of lighter less expensive arrays for satellites and the moon. The service now provides operational ITRF products including daily/ weekly station positions and daily resolution Earth orientation products; the flow of weekly combination of satellite orbit files for LAGEOS/Etalon-1 and -2 has recently been established. New products are under testing through a pilot project on systematic error monitoring currently underway. The article will give an overview of activities underway within the service, paths forward presently envisioned, and current issues and challenges.

Laser retroreflectors↗

Design and Optimization of a Hybrid Design for Quantum Transduction

This study presents the mechanical design and analysis of a quantum electro-optical transducer engineered to operate at millikelvin temperatures within a dilution refrigerator. The transducer enables bidirectional microwave-optical frequency conversion through a hybrid architecture that integrates a superconducting radiofrequency (SRF) cavity with an electro-optic optical cavity. Among several design options investigated, the configuration offering the best thermal and mechanical performance was selected, yielding a robust solution with reduced sensitivity to fabrication tolerances, improved heat dissipation, as well as alignment precision. The design ensures uniform temperature distribution, enabling higher laser pump powers and, thus, increased conversion efficiency, while maintaining mechanical stresses safely below the material yield strength. Electromagnetic simulations further validate the design, demonstrating enhanced coupling between the optical and microwave modes, as well as a broader tuning range achieved with smaller tuner displacements.

quantum computing↗

ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale

We present ExaTN (Exascale Tensor Networks), a scalable GPU-accelerated C++ library which can express and process tensor networks on shared- as well as distributed-memory high-performance computing platforms, including those equipped with GPU accelerators. Specifically, ExaTN provides the ability to build, transform, and numerically evaluate tensor networks with arbitrary graph structures and complexity. It also provides algorithmic primitives for the optimization of tensor factors inside a given tensor network in order to find an extremum of a chosen tensor network functional, which is one of the key numerical procedures in quantum many-body theory and quantum-inspired machine learning. Numerical primitives exposed by ExaTN provide the foundation for composing rather complex tensor network algorithms. We enumerate multiple application domains which can benefit from the capabilities of our library, including condensed matter physics, quantum chemistry, quantum circuit simulations, as well as quantum and classical machine learning, for some of which we provide preliminary demonstrations and performance benchmarks just to emphasize a broad utility of our library.

97 MATHEMATICS AND COMPUTING↗