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At least 1,567 records · Page 87

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

The optimization of functional materials is important to enhance their properties, but their complex geometries pose great challenges to optimization. Data-driven algorithms efficiently navigate such complex design spaces by learning relationships between material structures and performance metrics to discover high-performance functional materials. Surrogate-based active learning, continually improving its surrogate model by iteratively including high-quality data points, has emerged as a cost-effective data-driven approach. Furthermore, it can be coupled with quantum computing to enhance optimization processes, especially when paired with a special form of surrogate model (i.e., quadratic unconstrained binary optimization), formulated by factorization machine (FM). However, current practices often overlook the variability in design space sizes when determining the initial data size for optimization. In this work, we investigate the optimal initial data sizes required for efficient convergence across various design space sizes. By employing averaged piecewise linear regression, we identify initiation points where convergence begins, highlighting the crucial role of employing adequate initial data in achieving efficient optimization. These results contribute to the efficient optimization of functional materials by ensuring faster convergence and reducing computational costs in FM-based active learning.

active learning↗

Origin of Suppression of Proximity-Induced Superconductivity in Bi/Bi 2 Sr 2 CaCu 2 O 8+δ Heterostructures

Mixing of topological states with superconductivity could result in topological superconductivity with the elusive Majorana fermions potentially applicable in fault-tolerant quantum computing. One possible candidate considered for realization of topological superconductivity is thin bismuth films on Bi 2 Sr 2 CaCu 2 O 8+δ (Bi2212). Here, we present angle-resolved and core-level photoemission spectroscopy studies of thin Bi films grown in-situ on as-grown Bi2212 that show the absence of proximity effect. We find that the electron transfer from the film to the substrate and the resulting severe underdoping of Bi2212 at the interface is a likely origin for the absence of proximity effect. We also propose a possible way of preventing a total loss of proximity effect in this system. Our results offer a better and more universal understanding of the film/cuprate interface and resolve many issues related to the proximity effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Characterization of Quantum States Based on Creation Complexity

Abstract The creation complexity of a quantum state is the minimum number of elementary gates required to create it from a basic initial state. The creation complexity of quantum states is closely related to the complexity of quantum circuits, which is crucial in developing efficient quantum algorithms that can outperform classical algorithms. A major question unanswered so far is what quantum states can be created with a number of elementary gates that scales polynomially with the number of qubits. In this work, it is first shown that for an entirely general quantum state it is exponentially hard (requires a number of steps that scales exponentially with the number of qubits) to determine if the creation complexity is polynomial. Then, it is shown that it is possible for a large class of quantum states with polynomial creation complexity to have common coefficient features such that, given any candidate quantum state, an efficient coefficient sampling procedure can be designed to determine if the state belongs to the class or not with arbitrarily high success probability. Consequently, partial knowledge of a quantum state's creation complexity is obtained, which can be useful for designing quantum circuits and algorithms involving such a state.

74 ATOMIC AND MOLECULAR PHYSICS↗

Anomalous Loss Reduction Below Two‐Level System Saturation in Aluminum Superconducting Resonators

Superconducting resonators are widely used in many applications such as qubit readout for quantum computing, and kinetic inductance detectors. These resonators are susceptible to numerous loss and noise mechanisms, especially the dissipation due to two-level systems (TLS) which become the dominant source of loss in the few-photon and low temperature regime. In this study, capacitively-coupled aluminum half-wavelength coplanar waveguide resonators are investigated. Surprisingly, the loss of the resonators is observed to decrease with a lowering temperature at low excitation powers and temperatures below the TLS saturation. This behavior is attributed to the reduction of the TLS resonant response bandwidth with decreasing temperature and power to below the detuning between the TLS and the resonant photon frequency in a discrete ensemble of TLS. When response bandwidths of TLS are smaller than their detunings from the resonance, the resonant response and thus the loss is reduced. At higher excitation powers, the loss follows a logarithmic power dependence, consistent with predictions from the generalized tunneling model (GTM). A model combining the discrete TLS ensemble with the GTM is proposed and matches the temperature and power dependence of the measured internal loss of the resonator with reasonable parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nuclear Forces for Precision Nuclear Physics: A Collection of Perspectives

This is a collection of perspective pieces contributed by the participants of the Institute for Nuclear Theory’s Program on Nuclear Physics for Precision Nuclear Physics which was held virtually from April 19 to May 7, 2021. The collection represents the reflections of a vibrant and engaged community of researchers on the status of theoretical research in low-energy nuclear physics, the challenges ahead, and new ideas and strategies to make progress in nuclear structure and reaction physics, effective field theory, lattice QCD, quantum information, and quantum computing. Please note the contributed pieces solely reflect the perspectives of the respective authors and do not represent the viewpoints of the Institute for Nuclear theory or the organizers of the program.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Phenomenological opportunities at the EIC

This review presents a comprehensive overview of key phenomenological opportunities at the future Electron–Ion Collider (EIC), synthesizing discussions and collaborative research efforts developed within the Korean EIC community and the EICφ collaboration. We explore a diverse range of physics topics central to the EIC scientific program, including the multidimensional tomography of nucleon and nuclear structure, precision Quantum Chromodynamics studies through jet physics and event-shape observables, heavy quarkonium production as a probe of partonic dynamics, and the spectroscopy of exotic hadrons. Furthermore, we discuss the transformative potential of emerging technologies—specifically Machine Learning and Quantum Computing—as essential tools for addressing the computational challenges and maximizing the scientific discovery potential of the EIC era.

Electron–Ion collider↗

Quantum-assisted associative adversarial network: applying quantum annealing in deep learning

Abstract Generative models have the capacity to model and generate new examples from a dataset and have an increasingly diverse set of applications driven by commercial and academic interest. In this work, we present an algorithm for learning a latent variable generative model via generative adversarial learning where the canonical uniform noise input is replaced by samples from a graphical model. This graphical model is learned by a Boltzmann machine which learns low-dimensional feature representation of data extracted by the discriminator. A quantum processor can be used to sample from the model to train the Boltzmann machine. This novel hybrid quantum-classical algorithm joins a growing family of algorithms that use a quantum processor sampling subroutine in deep learning, and provides a scalable framework to test the advantages of quantum-assisted learning. For the latent space model, fully connected, symmetric bipartite and Chimera graph topologies are compared on a reduced stochastically binarized MNIST dataset, for both classical and quantum sampling methods. The quantum-assisted associative adversarial network successfully learns a generative model of the MNIST dataset for all topologies. Evaluated using the Fréchet inception distance and inception score, the quantum and classical versions of the algorithm are found to have equivalent performance for learning an implicit generative model of the MNIST dataset. Classical sampling is used to demonstrate the algorithm on the LSUN bedrooms dataset, indicating scalability to larger and color datasets. Though the quantum processor used here is a quantum annealer, the algorithm is general enough such that any quantum processor, such as gate model quantum computers, may be substituted as a sampler.

Wilson, Max (ORCID:0000000207983391)↗

Exploring the relationship between deposition method, microstructure, and performance of Nb/Si-based superconducting coplanar waveguide resonators

Superconducting quantum circuits (SQC) are one of the most promising hardware platforms for quantum computing, yet their performance is currently limited by the presence of various structural defects inside the circuit's structure. Despite impressive progress in the past decade, a precise understanding of the origin of these defects from various fabrication processes and their impact on coherence is still lacking. Here, in this study, we performed a comprehensive investigation on the microstructure, superconductivity, and resonator quality factor of Nb films deposited by high-power impulse magnetron sputtering (HiPIMS) and direct current (DC) magnetron sputtering. A suite of characterization techniques, including electron microscopy with spectroscopy, secondary ion mass spectrometry, magneto-optical microscopy, and pump-probe reflectivity spectroscopy is used. We reveal that niobium (Nb) resonators fabricated using HiPIMS exhibit a smaller average grain size, thicker surface oxide with larger thickness variations (rougher surface), and a thicker amorphous Nb/Si interface layer compared to samples deposited by DC sputtering. We identified that the amorphous Nb oxides (mainly located at the Nb surface and along the grain boundaries) and Nb-Si amorphous layers (at the Nb/Si interface) are major and potential sources of two-level system (TLS), while off-stochiometric oxides and suboxides of Nb close to the surface, crystalline defects (i.e., dislocations at grain boundary, point defects introduced during deposition) are main contributors of non-TLS sources. Our findings clarify the relationship between different defects and coherence loss mechanisms, highlighting the importance of material microstructure control on performance optimization in SQC.

36 MATERIALS SCIENCE↗

Multifunctional Prussian blue analogue magnets: Emerging opportunities

There is a surge of interest to expand the search for entirely new classes of molecular magnets as the emergence of information storage and quantum computing devices. Prussian blue analogues as a family of molecular magnets are especially attracting wide attention due to their large number of derivatives with a range of magnetic ordering temperature from cryogenic to high temperature. Furthermore, this review presents Prussian blue analogues as multifunctional molecular magnets, which involves the development of molecular magnet syntheses and crystal structures, and magnetic properties under external stimuli. In addition, the porous network structures and vacancy order of Prussian blue analogues present a wide capability to interact with water molecules and gas adsorption. External stimuli, such as thermal, pressure, electric and magnetic field and photoexcitation, play an important role in controlling the hidden states and cooperative phenomena of high temperature molecular magnets based on Prussian blue analogues.

36 MATERIALS SCIENCE↗

Ghost states and surface structures of the charge density wave kagome metal ScV 6 Sn 6

In this work, we investigate the high-temperature phase of the kagome metal ScV 6 Sn 6 using scanning tunneling microscopy/spectroscopy (STM/S) and density functional theory calculations. STM topographic images of the cleaved sample reveal two distinct surface terminations: flat islands with Sn termination and trenches terminated by kagome layers with Sn as the outermost atomic layer. STS measurements on the Sn-terminated and kagome-terminated surfaces show significant differences, in particular the presence of large density of states near the Fermi level in the former case. Our first-principles calculations reveal that the charge density on the kagome-terminated surface gives rise to “ghost states” which show intensity away from surface atoms, arising due to hybridization of orbitals above the surface. These states can obscure the intrinsic properties of the surface, potentially leading to misattribution of the surface termination. This underscores the need for careful interpretation in STM studies, especially when discerning surface states of localized states. Understanding the surface structure of this versatile quantum material provides essential information for interpreting surface-sensitive experiments, tailoring material properties, engineering interfaces, and controlling stability and reactivity. This knowledge paves the way for further exploration and potential applications of kagome lattice materials in various fields, including quantum computing, topological physics, and advanced electronic devices.

36 MATERIALS SCIENCE↗

An efficient explicit implementation of a near-optimal quantum algorithm for simulating linear dissipative differential equations

We propose an efficient block-encoding technique for the implementation of the Linear Combination of Hamiltonian Simulations (LCHS) for simulating dissipative initial-value problems. This algorithm approximates a target nonunitary operator as a weighted sum of Hamiltonian evolutions, thereby emulating a dissipative problem by mixing various time scales. We introduce an efficient encoding of the LCHS into a quantum circuit based on a simple coordinate transformation that turns the dependence on the summation index into a trigonometric function. Classically, this method is equivalent to the use of a highly accurate Fejér-Clenshaw-Curtis quadrature formula. Quantumly, this significantly simplifies block-encoding of a dissipative problem and allows one to perform an exponential number of Hamiltonian simulations by a single Quantum Signal Processing (QSP) circuit. The resulting LCHS circuit has high success probability and the selector scales logarithmically with the number of terms in the LCHS sum and linearly with time. Careful analysis of error convergence proves that this method is more efficient than other LCHS circuits that have recently appeared in the literature. We verify the quantum circuit and its scaling by simulating it on a digital emulator of fault-tolerant quantum computers and, as a test problem, solve the advection-diffusion equation. The proposed algorithm can be used for simulating a wide class of nonunitary initial-value problems including the Liouville equation with added dissipation and linear embeddings of nonlinear systems, such as the Koopman-von Neumann and Carleman embeddings.

Novikau, I [Lawrence Livermore National Laboratory↗

Substitutional doping of 2D transition metal dichalcogenides for device applications: Current status, challenges and prospects

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have emerged as a class of materials with exceptional electronic, optical, and mechanical properties, making them highly tunable for diverse applications in nanoelectronics, optoelectronics, and catalysis. Here, this review focuses on substitutional doping of TMDs, a key strategy to tailor their properties and enhance device performance, with a focus on its applications over the past five years (2019–2024). We delve into both theoretical and experimental doping approaches, including established methods like chemical vapor transport (CVT) and chemical vapor deposition (CVD) alongside liquid phase exfoliation (LPE) and post-synthesis treatments. Advanced growth techniques are also explored. Challenges like dopant uniformity, concentration control, and stability are addressed. The influence of various dopants on the electronic band structure, carrier concentration, and defect engineering is analyzed in detail. We further explore recent advancements in utilizing doped TMDs for field-effect transistors (FETs), photodetectors, sensors, photovoltaics, optoelectronic devices, energy storage and conversion, and even quantum computers. By examining both the potential and limitations of substitutional doping, this review aims to propel future research and technological advancements in this exciting field.

36 MATERIALS SCIENCE↗

Tutorial: Extracting entanglement signatures from neutron spectroscopy

This tutorial is a pedagogical introduction to recent methods of computing quantum spin entanglement witnesses from spectroscopy, with a special focus on neutron scattering on quantum spin systems. We offer a brief introduction to the concepts and equations, define a data analysis protocol, and discuss the interpretation of three entanglement witnesses: one-tangle, two-tangle, and Quantum Fisher Information. We also discuss practical experimental considerations, and give three examples of extracting entanglement witnesses from experimental data: Copper Nitrate, KCuF 3 , and NiPS 3 .

47 OTHER INSTRUMENTATION↗

Unveiling field-transverse spin anisotropy in the spin liquid candidate α-RuCl3 via spin Hall magnetoresistance

α-RuCl3 has emerged as a possible candidate for a quantum spin liquid (QSL) that promises exotic quasiparticles relevant for fault-tolerant quantum computation. Here, we report spin-sensitive transport measurements using a proximal spin Hall metal, platinum (Pt), to probe magnetic moments in the insulator α-RuCl3. We observe spin Hall magnetoresistance (SMR), where both the transverse and longitudinal resistivities exhibit angular oscillations between the in-plane magnetic field and the current, driven by the interplay between the spin Hall effect in Pt and local magnetic moments in α-RuCl3. These oscillations occur from 1.5 to 18 T, covering the zigzag antiferromagnetic, putative QSL, and supposedly partially field-polarized phases. The phase of the SMR oscillations suggests that the local moments, whether static or fluctuating, develop spin anisotropy with a quantization axis in-plane and largely transverse to the magnetic field across all fields from 1.5 to 18 T. Temperature dependence indicates that the spin anisotropy operates at an energy scale similar to that of the reported QSL signatures in α-RuCl3.

Idzuchi, Hiroshi [Tohoku University, Japan]↗

Modeling athermal phonons in novel materials using the G4CMP simulation toolkit

Understanding phonon and charge propagation in superconducting devices plays an important role in both performing low-threshold dark matter searches and limiting correlated errors in superconducting qubits. The Geant4 Condensed Matter Physics (G4CMP) package, originally developed for the Cryogenic Dark Matter Search (CDMS) experiment, models charge and phonon transport within silicon and germanium detectors and has been validated by experimental measurements of phonon caustics, mean charge-carrier drift velocities, and heat pulse propagation times. Here, in this work, we present a concise framework for expanding the capabilities for phonon transport to a number of other novel substrate materials of interest to the dark matter and quantum computing communities, including sapphire (Al 2 O 3 ), gallium arsenide (GaAs), lithium fluoride (LiF), calcium tungstate (CaWO 4 ), and calcium fluoride (CaF 2 ). We demonstrate the use of this framework in generating phonon transport properties of these materials and compare these properties with experimentally-determined values where available.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

CUORE opens the door to tonne-scale cryogenics experiments

The past few decades have seen major developments in the design and operation of cryogenic particle detectors. This technology offers an extremely good energy resolution – comparable to semiconductor detectors – and a wide choice of target materials, making low temperature calorimetric detectors ideal for a variety of particle physics applications. Rare event searches have continued to require ever greater exposures, which has driven them to ever larger cryogenic detectors, with the CUORE experiment being the first to reach a tonne-scale, mK-cooled, experimental mass. CUORE, designed to search for neutrinoless double beta decay, has been operational since 2017 at a temperature of about 10 mK. This result has been attained by the use of an unprecedentedly large cryogenic infrastructure called the CUORE cryostat: conceived, designed and commissioned for this purpose. In this article the main characteristics and features of the cryogenic facility developed for the CUORE experiment are highlighted. In this work, a brief introduction of the evolution of the field and of the past cryogenic facilities are given. The motivation behind the design and development of the CUORE cryogenic facility is detailed as are the steps taken toward realization, commissioning, and operation of the CUORE cryostat. The major challenges overcome by the collaboration and the solutions implemented throughout the building of the cryogenic facility will be discussed along with the potential improvements for future facilities. The success of CUORE has opened the door to a new generation of large-scale cryogenic facilities in numerous fields of science. Broader implications of the incredible feat achieved by the CUORE collaboration on the future cryogenic facilities in various fields ranging from neutrino and dark matter experiments to quantum computing will be examined.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗