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At least 307 records · Page 17

Visualizing heterogeneous dipole fields by terahertz light coupling in individual nano-junctions

The challenge underlying superconducting quantum computing is to remove materials bottleneck for highly coherent quantum devices. The nonuniformity and complex structural components in the underlying quantum circuits often lead to local electric field concentration, charge scattering, dissipation and ultimately decoherence. Here we visualize interface dipole heterogeneous distribution of individual Al/AlO$_{x}$/Al junctions employed in transmon qubits by broadband terahertz scanning near-field microscopy that enables the non-destructive and contactless identification of defective boundaries in nano-junctions at an extremely precise nanoscale level. Our THz nano-imaging tool reveals an asymmetry across the junction in electromagnetic wave-junction coupling response that manifests as hot (high intensity) vs cold (low intensity) spots in the spatial electrical field structures and correlates with defected boundaries from the multi-angle deposition processes in Josephson junction fabrication inside qubit devices. The demonstrated local electromagnetic scattering method offers high sensitivity, allowing for reliable device defect detection in the pursuit of improved quantum circuit fabrication for ultimately optimizing coherence times.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA Tech Briefs, August 2012

Topics covered include: Mars Science Laboratory Drill; Ultra-Compact Motor Controller; A Reversible Thermally Driven Pump for Use in a Sub-Kelvin Magnetic Refrigerator; Shape Memory Composite Hybrid Hinge; Binding Causes of Printed Wiring Assemblies with Card-Loks; Coring Sample Acquisition Tool; Joining and Assembly of Bulk Metallic Glass Composites Through Capacitive Discharge; 670-GHz Schottky Diode-Based Subharmonic Mixer with CPW Circuits and 70-GHz IF; Self-Nulling Lock-in Detection Electronics for Capacitance Probe Electrometer; Discontinuous Mode Power Supply; Optimal Dynamic Sub-Threshold Technique for Extreme Low Power Consumption for VLSI; Hardware for Accelerating N-Modular Redundant Systems for High-Reliability Computing; Blocking Filters with Enhanced Throughput for X-Ray Microcalorimetry; High-Thermal-Conductivity Fabrics; Imidazolium-Based Polymeric Materials as Alkaline Anion-Exchange Fuel Cell Membranes; Electrospun Nanofiber Coating of Fiber Materials: A Composite Toughening Approach; Experimental Modeling of Sterilization Effects for Atmospheric Entry Heating on Microorganisms; Saliva Preservative for Diagnostic Purposes; Hands-Free Transcranial Color Doppler Probe; Aerosol and Surface Parameter Retrievals for a Multi-Angle, Multiband Spectrometer LogScope; TraceContract; AIRS Maps from Space Processing Software; POSTMAN: Point of Sail Tacking for Maritime Autonomous Navigation; Space Operations Learning Center; OVERSMART Reporting Tool for Flow Computations Over Large Grid Systems; Large Eddy Simulation (LES) of Particle-Laden Temporal Mixing Layers; Projection of Stabilized Aerial Imagery Onto Digital Elevation Maps for Geo-Rectified and Jitter-Free Viewing; Iterative Transform Phase Diversity: An Image-Based Object and Wavefront Recovery; 3D Drop Size Distribution Extrapolation Algorithm Using a Single Disdrometer; Social Networking Adapted for Distributed Scientific Collaboration; General Methodology for Designing Spacecraft Trajectories; Hemispherical Field-of-View Above-Water Surface Imager for Submarines; and Quantum-Well Infrared Photodetector (QWIP) Focal Plane Assembly.

Source record↗

Analyzing the Quantum Approximate Optimization Algorithm: Ansätze, Symmetries, and Lie Algebras

The quantum approximate optimization algorithm (QAOA) has been proposed as a method to obtain approximate solutions for combinatorial optimization tasks. In this work, we study the underlying algebraic properties of three QAOA ansätze for the maximum-cut problem on connected graphs, while focusing on the generated Lie algebras as well as their invariant subspaces. Specifically, we analyze the standard QAOA ansatz as well as the orbit and multiangle ansätze. We are able to fully characterize the Lie algebras of the multiangle ansatz across arbitrary connected graphs, finding that they only fall into one of just six families. Aside from the cycle and path graphs, the Lie dimensions for every graph are exponentially large in the system size, meaning that multiangle ansätze are extremely prone to exhibiting barren plateaus. Then, a similar quasi-graph-independent Lie-algebraic characterization beyond the multiangle ansatz is impeded as the circuit exhibits additional “hidden” symmetries besides those naturally arising from a certain parity-superselection operator and all automorphisms of the considered graph. Disregarding the “hidden” symmetries, we can upper bound the dimensions of the orbit and the standard Lie algebras, and the dimensions of the associated invariant subspaces are determined via explicit character formulas. To finish, we conjecture that (for most graphs) the standard Lie algebras have only components that are either exponential or that grow, at most, polynomially with the system size. This would imply that the QAOA is either prone to barren plateaus or classically simulable. More generally, our work provides a symmetry framework and tools to analyze any desired variational quantum algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Machine learning and algebraic approaches towards complete matter spectra in 4d F-theory

Motivated by engineering vector-like (Higgs) pairs in the spectrum of 4d F-theory compactifications, we combine machine learning and algebraic geometry techniques to analyze line bundle cohomologies on families of holomorphic curves. To quantify jumps of these cohomologies, we first generate 1.8 million pairs of line bundles and curves embedded in dP 3 , for which we compute the cohomologies. A white-box machine learning approach trained on this data provides intuition for jumps due to curve splittings, which we use to construct additional vector-like Higgs-pairs in an F-Theory toy model. We also find that, in order to explain quantitatively the full dataset, further tools from algebraic geometry, in particular Brill-Noether theory, are required. Using these ingredients, we introduce a diagrammatic way to express cohomology jumps across the parameter space of each family of matter curves, which reflects a stratification of the F-theory complex structure moduli space in terms of the vector-like spectrum. Furthermore, these insights provide an algorithmically efficient way to estimate the possible cohomology dimensions across the entire parameter space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

TLS characterization using multilevel decay of a fixed-frequency transmon

Transmon qubits are a cornerstone of superconducting quantum computing platforms, yet their coherence times often exhibit temporal fluctuations that degrade processor performance. These variations are commonly attributed to shifts in the resonance frequencies of individual two-level systems (TLSs) near the qubit transition. In this study, we monitor the lifetimes of multiple energy levels of a fixed-frequency transmon and examine their temporal correlations. Our measurements reveal that one or more TLSs—detuned by more than 100 MHz from the qubit transition—can still significantly influence coherence. The proposed method provides a powerful tool for TLS spectroscopy without the need to tune the transmon frequency, either via a flux-tunable inductor or AC-Stark shifts.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗

TLS characterization using multilevel decay of a fixed-frequency transmon

Transmon qubits are a cornerstone of superconducting quantum computing platforms, yet their coherence times often exhibit temporal fluctuations that degrade processor performance. These variations are commonly attributed to shifts in the resonance frequencies of individual two-level systems (TLSs) near the qubit transition. In this study, we monitor the lifetimes of multiple energy levels of a fixed-frequency transmon and examine their temporal correlations. Our measurements reveal that one or more TLSs—detuned by more than 100 MHz from the qubit transition—can still significantly influence coherence. The proposed method provides a powerful tool for TLS spectroscopy without the need to tune the transmon frequency, either via a flux-tunable inductor or AC-Stark shifts.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗

First-principles ionized-impurity scattering and charge transport in doped materials

Scattering of carriers with ionized impurities governs charge transport in doped semiconductors. However, electron interactions with ionized impurities cannot be fully described with quantitative first-principles calculations, so their understanding relies primarily on simplified models. Here we show an ab initio approach to compute the interactions between electrons and ionized impurities or other charged defects. It includes the short- and long-range electron-defect (e-d) interactions on equal footing and allows for efficient interpolation of the e-d matrix elements. Here we combine the e-d and electron-phonon interactions in the Boltzmann transport equation to compute the carrier mobilities in doped silicon over a wide range of temperature and doping concentrations, seamlessly spanning the defect- and phonon-limited transport regimes. The individual contributions of the defect- and phonon-scattering mechanisms to the carrier relaxation times and mean-free paths are analyzed. Our method provides a powerful tool to study electronic interactions in doped materials. It broadens the scope of first-principles transport calculations, enabling studies of a wide range of doped semiconductors and oxides with application to electronics, energy, and quantum technologies.

36 MATERIALS SCIENCE↗

The learnability of Pauli noise

Recently, several quantum benchmarking algorithms have been developed to characterize noisy quantum gates on today’s quantum devices. A fundamental issue in benchmarking is that not everything about quantum noise is learnable due to the existence of gauge freedom, leaving open the question what information is learnable and what is not, which is unclear even for a single CNOT gate. Here we give a precise characterization of the learnability of Pauli noise channels attached to Clifford gates using graph theoretical tools. Our results reveal the optimality of cycle benchmarking in the sense that it can extract all learnable information about Pauli noise. We experimentally demonstrate noise characterization of IBM’s CNOT gate up to 2 unlearnable degrees of freedom, for which we obtain bounds using physical constraints. In addition, we show that an attempt to extract unlearnable information by ignoring state preparation noise yields unphysical estimates, which is used to lower bound the state preparation noise.

97 MATHEMATICS AND COMPUTING↗

Coherent manipulation of graph states composed of finite-energy Gottesman-Kitaev-Preskill-encoded qubits

Graph states are a central resource in measurement-based quantum information processing. In the photonic qubit architecture based on Gottesman-Kitaev-Preskill (GKP) encoding, the generation of high-fidelity graph states composed of realistic, finite-energy approximate GKP-encoded qubits thus constitutes a key task. We consider the finite-energy approximation of GKP-qubit states given by a coherent superposition of shifted finite-squeezed vacuum states, where the displacements are Gaussian distributed. We present an exact description of graph states composed of such approximate GKP qubits as a coherent superposition of a Gaussian ensemble of randomly displaced ideal GKP-qubit graph states. Using standard Gaussian dynamics, we track the transformation of the covariance matrix and the mean-displacement vector elements of the Gaussian distribution of the ensemble under tools such as GKP-Steane error-correction and fusion operations that can be used to grow large high-fidelity GKP-qubit graph states. The covariance matrix elements capture the noise in the graph state due to the finite-energy approximation of GKP qubits, while the mean displacements relate to the possible absolute shift errors on the individual qubits arising conditionally from the homodyne measurements that are a part of these tools. Our work thus pins down an exact coherent error model for graph states generated from truly finite-energy GKP qubits, which can shed light on their error-correction properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Visual Analytics of Crosstalk in Quantum Hardware

Crosstalk remains a major obstacle to building scalable and fault-tolerant quantum computers. Conventional diagnostic techniques-often based on numerical simulation or statistical modeling-struggle to scale with hardware complexity and offer limited interpretability. In this work, we present a visual analytics framework for diagnosing qubit crosstalk using lightweight, circuit-based models integrated with an interactive user interface. Our approach quantifies correlations between active and idle qubits under parameterized single- and twoqubit operations, enabling detection of both spatial and gateinduced crosstalk. The system incorporates qubit topology and gate performance data to support sector-based exploration and correlation mapping. This tool assists users in identifying correlated error sources, informing qubit placement strategies, and guiding noise-aware circuit design.

Chae, Junghoon [ORNL] (ORCID:0000000206016746)↗

Perturbative model of noisy quantum signal processing

Recent progress in quantum signal processing (QSP) and its generalization, quantum singular value transformation, has led to a grand unification of quantum algorithms. However, inherent experimental noise in quantum devices severely limits the length of realizable QSP sequences. Here, we consider a model of QSP with generic perturbative noise in the signal processing basis and present a diagrammatic notation useful for analyzing such errors. To demonstrate our technique, we study a specific coherent error, that of under- or overrotation of the signal processing operator parametrized by ε<<1. For this coherent error model, it is shown that while Pauli Z errors are not recoverable without additional resources, Pauli X and Y errors can be arbitrarily suppressed by coherently appending a noisy recovery QSP without the use of additional resources or ancillas. Furthermore, through a careful accounting of errors using our diagrammatic tools, we provide an upper and lower bound on the length of this recovery QSP operator. We anticipate that the perturbative technique and the diagrammatic notation proposed here will facilitate future study of generic noise in QSP and quantum algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Rise of Neural Networks for Materials and Chemical Dynamics

Machine learning (ML) is quickly becoming a premier tool for modeling chemical processes and materials. ML-based force fields, trained on large data sets of high-quality electron structure calculations, are particularly attractive due their unique combination of computational efficiency and physical accuracy. This Perspective summarizes some recent advances in the development of neural network-based interatomic potentials. Designing high-quality training data sets is crucial to overall model accuracy. One strategy is active learning, in which new data are automatically collected for atomic configurations that produce large ML uncertainties. Another strategy is to use the highest levels of quantum theory possible. Transfer learning allows training to a data set of mixed fidelity. A model initially trained to a large data set of density functional theory calculations can be significantly improved by retraining to a relatively small data set of expensive coupled cluster theory calculations. These advances are exemplified by applications to molecules and materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulation of Laser Cooling and Trapping in Engineering Applications

An advanced computer code is undergoing development for numerically simulating laser cooling and trapping of large numbers of atoms. The code is expected to be useful in practical engineering applications and to contribute to understanding of the roles that light, atomic collisions, background pressure, and numbers of particles play in experiments using laser-cooled and -trapped atoms. The code is based on semiclassical theories of the forces exerted on atoms by magnetic and optical fields. Whereas computer codes developed previously for the same purpose account for only a few physical mechanisms, this code incorporates many more physical mechanisms (including atomic collisions, sub-Doppler cooling mechanisms, Stark and Zeeman energy shifts, gravitation, and evanescent-wave phenomena) that affect laser-matter interactions and the cooling of atoms to submillikelvin temperatures. Moreover, whereas the prior codes can simulate the interactions of at most a few atoms with a resonant light field, the number of atoms that can be included in a simulation by the present code is limited only by computer memory. Hence, the present code represents more nearly completely the complex physics involved when using laser-cooled and -trapped atoms in engineering applications. Another advantage that the code incorporates is the possibility to analyze the interaction between cold atoms of different atomic number. Some properties that cold atoms of different atomic species have, like cross sections and the particular excited states they can occupy when interacting with each other and light fields, play important roles not yet completely understood in the new experiments that are under way in laboratories worldwide to form ultracold molecules. Other research efforts use cold atoms as holders of quantum information, and more recent developments in cavity quantum electrodynamics also use ultracold atoms to explore and expand new information-technology ideas. These experiments give a hint on the wide range of applications and technology developments that can be tackled using cold atoms and light fields. From more precise atomic clocks and gravity sensors to the development of quantum computers, there will be a need to completely understand the whole ensemble of physical mechanisms that play a role in the development of such technologies. The code also permits the study of the dynamic and steady-state operations of technologies that use cold atoms. The physical characteristics of lasers and fields can be time-controlled to give a realistic simulation of the processes involved such that the design process can determine the best control features to use. It is expected that with the features incorporated into the code it will become a tool for the useful application of ultracold atoms in engineering applications. Currently, the software is being used for the analysis and understanding of simple experiments using cold atoms, and for the design of a modular compact source of cold atoms to be used in future research and development projects. The results so far indicate that the code is a useful design instrument that shows good agreement with experimental measurements (see figure), and a Windows-based user-friendly interface is also under development.

Ramirez-Serrano, Jaime↗

A Stochastic Model of Space Radiation Transport as a Tool in the Development of Time-Dependent Risk Assessment

A new computer model, the GCR Event-based Risk Model code (GERMcode), was developed to describe biophysical events from high-energy protons and heavy ions that have been studied at the NASA Space Radiation Laboratory (NSRL) [1] for the purpose of simulating space radiation biological effects. In the GERMcode, the biophysical description of the passage of heavy ions in tissue and shielding materials is made with a stochastic approach that includes both ion track structure and nuclear interactions. The GERMcode accounts for the major nuclear interaction processes of importance for describing heavy ion beams, including nuclear fragmentation, elastic scattering, and knockout-cascade processes by using the quantum multiple scattering fragmentation (QMSFRG) model [2]. The QMSFRG model has been shown to be in excellent agreement with available experimental data for nuclear fragmentation cross sections

Kim, Myung-Hee Y.↗

JCZ3: An Equation of State Based on the Exponential-Six Intermolecular Potential – Update: Formulation

This report presents a comprehensive analysis of the JCZ3 equation of state (EOS) as implemented in the TIGER code, focusing on its thermodynamic framework, mathematical formulations, and implications for modeling gas phase behavior under varying conditions. Overall, the report affirms the TIGER code's foundational robustness and its potential as a valuable tool for simulating high-pressure, high-temperature gas mixtures, while also highlighting areas for further refinement and validation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Imaging nanoscale carrier, thermal, and structural dynamics with time-resolved and ultrafast electron energy-loss spectroscopy

Time-resolved and ultrafast electron energy-loss spectroscopy (EELS) is an emerging technique for measuring photoexcited carriers, lattice dynamics, and near-fields across femtosecond to microsecond timescales. When performed in either a specialized scanning transmission electron microscope or ultrafast electron microscope (UEM), time-resolved and ultrafast EELS can directly image charge carriers, lattice vibrations, and heat dissipation following photoexcitation or applied bias. Yet, recent advances in theoretical calculations and electron optics are often required to realize the full potential of ultrafast EEL spectrum imaging. Here, in this review, we present a comprehensive overview of the recent progress in the theory and instrumentation of time-resolved and ultrafast EELS. We begin with an introduction to the technique, followed by a physical description of the loss function. We outline approaches for calculating and interpreting ground-state and transient EEL spectra spanning low-loss plasmons to core-level excitations analogous to x-ray absorption. We then survey the current state of time-resolved and ultrafast EELS techniques beyond photon-induced near-field electron microscopy, highlighting abilities to image carrier and thermal dynamics. Finally, we examine future directions enabled by emerging technologies, including electron beam monochromation, in situ and operando cells, laser-free UEM, and high-speed direct electron detectors. These advances position time-resolved and ultrafast EELS as a critical tool for uncovering nanoscale dynamic processes in quantum materials and solar energy conversion devices.

Computational methods↗

Best practices for first-principles simulations of epitaxial inorganic interfaces

Abstract At an interface between two materials physical properties and functionalities may be achieved, which would not exist in either material alone. Epitaxial inorganic interfaces are at the heart of semiconductor, spintronic, and quantum devices. First principles simulations based on density functional theory (DFT) can help elucidate the electronic and magnetic properties of interfaces and relate them to the structure and composition at the atomistic scale. Furthermore, DFT simulations can predict the structure and properties of candidate interfaces and guide experimental efforts in promising directions. However, DFT simulations of interfaces can be technically elaborate and computationally expensive. To help researchers embarking on such simulations, this review covers best practices for first principles simulations of epitaxial inorganic interfaces, including DFT methods, interface model construction, interface structure prediction, and analysis and visualization tools.

Physics↗