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At least 127 records · Page 7

The Emerging Technology of Quantum Computing

Quantum computers will have unique abilities for certain types of problems, such as breaking codes. That’s why national security agencies are intensely interested. These computers will also be able to search massive databases at unparalleled speed, which is why major corporations interested in artificial intelligence are also interested and are pursuing several different approaches to building practical data processing devices. What underlies these efforts is several decades of research—supported by the Basic Energy Sciences (BES) office of DOE—on materials that exhibit multiple quantum states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computational design of quantum defects in two-dimensional materials

We report missing atoms or atom substitutions (point defects) in crystal lattices in two-dimensional (2D) materials are potential hosts for emerging quantum technologies, such as single-photon emitters and spin quantum bits (qubits). First-principles-guided design of quantum defects in 2D materials is paving the way for rational spin qubit discovery. Here we discuss the frontier of first-principles theory development and the challenges in predicting the critical physical properties of point defects in 2D materials for quantum information technology, in particular for optoelectronic and spin-optotronic properties. Strong many-body interactions at reduced dimensionality require advanced electronic structure methods beyond mean-field theory. The great challenges for developing theoretical methods that are appropriate for strongly correlated defect states, as well as general approaches for predicting spin relaxation and the decoherence time of spin defects, are yet to be addressed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Carboxylate-based molecular magnet: One path toward achieving stable quantum correlations at room temperature

The control of quantum correlations in solid-state systems by means of material engineering is a broad avenue to be explored, since it makes possible steps toward the limits of quantum mechanics and the design of novel materials with applications on emerging quantum technologies. This letter explores the potential of molecular magnets to be prototypes of materials for quantum information technology in this context. More precisely, we engineered a material and from its geometric quantum discord we found significant quantum correlations up to 9540 K (even without entanglement); and, a pure singlet state occupied up to around 80 K (above liquid nitrogen temperature), additionally. Our results could only be achieved due to the carboxylate group promoting a metal-to-metal huge magnetic interaction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum simulation of fundamental particles and forces

Key static and dynamic properties of matter — from creation in the Big Bang to evolution into subatomic and astrophysical environments — arise from the underlying fundamental quantum fields of the standard model and their effective descriptions. However, the simulation of these properties lies beyond the capabilities of classical computation alone. Advances in quantum technologies have improved control over quantum entanglement and coherence to the point at which robust simulations of quantum fields are anticipated in the foreseeable future. In this Perspective article, we discuss the emerging area of quantum simulations of standard-model physics, outlining the challenges and opportunities for progress in the context of nuclear and high-energy physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quantum defects in carbon nanotubes as single-photon sources

Single-photon emitters are essential components of emerging quantum technologies, including secure communication and quantum computing. Single-walled carbon nanotubes (SWCNTs) have emerged as a promising platform for quantum light sources due to their quasi-one-dimensional excitonic host structure and compatibility with telecom photonic systems. Recent advances in deterministic defect engineering—most notably the development of organic color centers (OCCs)—have enabled stable, chemically controllable, and spectrally tunable single-photon emission. OCC-based emitters have demonstrated single-photon purity exceeding 99% and, more recently, room-temperature photon indistinguishability, placing them among the few solid-state systems with quantum-grade performance under ambient conditions. This review surveys progress in the field from three complementary perspectives: chemical synthesis and quantum defect engineering, computational studies of structure-property relationships and excitonic behavior, and experimental investigations of quantum optical properties. We also discuss alternative approaches, including air-suspended SWCNTs and hybrid van der Waals heterostructures, highlighting opportunities and open challenges for scalable integration into quantum photonic platforms.

36 MATERIALS SCIENCE↗

Quantum Memristors with Superconducting Circuits

Memristors are resistive elements retaining information of their past dynamics. They have garnered substantial interest due to their potential for representing a paradigm change in electronics, information processing and unconventional computing. Given the advent of quantum technologies, a design for a quantum memristor with superconducting circuits may be envisaged. Along these lines, we introduce such a quantum device whose memristive behavior arises from quasiparticle-induced tunneling when supercurrents are cancelled. Here in this paper, for realistic parameters, we find that the relevant hysteretic behavior may be observed using current state-of-the-art measurements of the phase-driven tunneling current. Finally, we develop suitable methods to quantify memory retention in the system.

97 MATHEMATICS AND COMPUTING↗

Spectroscopic Signatures of Phonon Character in Molecular Electron Spin Relaxation

Spin–lattice relaxation constitutes a key challenge for the development of quantum technologies, as it destroys superpositions in molecular quantum bits (qubits) and magnetic memory in single molecule magnets (SMMs). Gaining mechanistic insight into the spin relaxation process has proven challenging owing to a lack of spectroscopic observables and contradictions among theoretical models. Here, we use pulse electron paramagnetic resonance (EPR) to profile changes in spin relaxation rates (T 1 ) as a function of both temperature and magnetic field orientation, forming a two-dimensional data matrix. For randomly oriented powder samples, spin relaxation anisotropy changes dramatically with temperature, delineating multiple regimes of relaxation processes for each Cu(II) molecule studied. We show that traditional T 1 fitting approaches cannot reliably extract this information. Single-crystal T 1 anisotropy experiments reveal a surprising change in spin relaxation symmetry between these two regimes. We interpret this switch through the concept of a spin relaxation tensor, enabling discrimination between delocalized lattice phonons and localized molecular vibrations in the two relaxation regimes. Variable-temperature T 1 anisotropy thus provides a unique spectroscopic method to interrogate the character of nuclear motions causing spin relaxation and the loss of quantum information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrostatic gate-controlled quantum interference in a high-mobility two-dimensional electron gas at the (La 0.3 ⁢Sr 0.7 )(Al 0.65 ⁢Ta 0.35 )O 3 /SrTiO 3 interface

Here, we report quantum oscillations in magnetoresistance that are periodic in magnetic field (𝐵), observed at the interface between (La 0.3 ⁢Sr 0.7 )(Al 0.65 ⁢Ta 0.35 )O 3 and SrTiO 3 . Unlike Shubnikov–de Haas oscillations, which appear at magnetic fields > 7 T and diminish quickly as the temperature rises, these 𝐵-periodic oscillations emerge at low fields and persist up to 10 K. Their amplitude decays exponentially with both temperature and field, specifying dephasing of quantum interference. Increasing the carrier density through electrostatic gating results in a systematic reduction in both the amplitude and frequency of the oscillations, with complete suppression beyond a certain gate voltage. We attribute these oscillations to the Altshuler-Aronov-Spivak effect, likely arising from naturally formed closed-loop paths due to the interconnected quasi-one-dimensional conduction channels along SrTiO 3 domain walls. The relatively long phase coherence length (≃ 1.8 µ⁢m at 0.1 K), estimated from the oscillation amplitude, highlights the potential of complex oxide interfaces as a promising platform for exploring quantum interference effects and advancing device concepts in quantum technologies, such as mesoscopic interferometers and quantum sensors.

36 MATERIALS SCIENCE↗

Imaging the electronic and magnetic structure of topological-superconductor proximity systems (Final Report)

The primary goals of the projects supported by this grant involved developing methods to detect and control electronic states that can aid in the construction of quantum-information devices, including quantum computers. Two types of materials are needed to create these electronic states: superconductors and topological insulators. The interplay of the quantum mechanics of these materials can give rise to elusive states known as Majorana fermions. Majorana Fermions have incredible potential for quantum technology; they can in principle encode quantum information non-locally, and can thus form the basis of especially robust qubits – the basic building blocks of quantum computers. A centerpiece goal of this work was to develop a Majorana detection tool called a Scanning Majorana Microscope. This tool was successfully developed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Model predictive control for robust quantum state preparation

A critical engineering challenge in quantum technology is the accurate control of quantum dynamics. Model-based methods for optimal control have been shown to be highly effective when theory and experiment closely match. Consequently, realizing high-fidelity quantum processes with model-based control requires careful device characterization. In quantum processors based on cold atoms, the Hamiltonian can be well-characterized. For superconducting qubits operating at milli-Kelvin temperatures, the Hamiltonian is not as well-characterized. Unaccounted for physics (i.e., mode discrepancy), coherent disturbances, and increased noise compromise traditional model-based control. This work introduces model predictive control (MPC) for quantum control applications. MPC is a closed-loop optimization framework that (i) inherits a natural degree of disturbance rejection by incorporating measurement feedback, (ii) utilizes finite-horizon model-based optimizations to control complex multi-input, multi-output dynamical systems under state and input constraints, and (iii) is flexible enough to develop synergistically alongside other modern control strategies. We show how MPC can be used to generate practical optimized control sequences in representative examples of quantum state preparation. Specifically, we demonstrate for a qubit, a weakly-anharmonic qubit, and a system undergoing crosstalk, that MPC can realize successful model-based control even when the model is inadequate. These examples showcase why MPC is an important addition to the quantum engineering control suite.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optically addressable molecular spins for quantum information processing

Spin-bearing molecules are promising building blocks for quantum technologies as they can be chemically tuned, assembled into scalable arrays, and readily incorporated into diverse device architectures. In molecular systems, optically addressing ground-state spins would enable a wide range of applications in quantum information science, as has been demonstrated for solid-state defects. However, this important functionality has remained elusive for molecules. Here, we demonstrate such optical addressability in a series of synthesized organometallic, chromium(IV) molecules. These compounds display a ground-state spin that can be initialized and read out using light and coherently manipulated with microwaves. In addition, through atomistic modification of the molecular structure, we vary the spin and optical properties of these compounds, indicating promise for designer quantum systems synthesized from the bottom-up.

99 GENERAL AND MISCELLANEOUS↗

Mesoscale atomic engineering in a crystal lattice

Controlling individual atoms using lasers, ion traps and scanning probe tips has transformed our understanding of matter and enabled breakthroughs in quantum science. Extending this control into three-dimensional (3D) solids and across mesoscopic scales, however, remains a foundational challenge. Electron irradiation in electron microscopes is known to induce atomic displacements, and atomic manipulation has been proposed and demonstrated. Yet repeated and deterministic control has remained elusive. Here, in this study, we demonstrate deterministic atomic engineering in a 3D crystal, creating ordered arrangements of more than 40,000 user-defined defects within minutes across a 150 nm × 100 nm × 13 nm volume. By steering individual Cr atoms in the magnetic semiconductor CrSBr into selected interstitial sites using an electron beam directed with sub-20-pm-scale accuracy, we create vacancy–interstitial complexes. The resulting impurity array forms a mesoscale crystal embedded within the host lattice, a new form of engineered artificial matter that remains stable at room temperature and outside the microscope. By tracking Cr atom displacements, we identify conditions under which the defect structures are predictable. Our calculations suggest that these defects form correlated impurity states with intra-defect optical transitions and inter-defect kinetic and Coulomb interactions. This establishes a generalizable platform for atomic defect engineering at mesoscopic, and potentially macroscopic, scales, opening opportunities for scalable quantum technologies, including deterministic colour-centre placement, quantum simulation of many-body lattice models and atomic-scale manufacturing.

74 ATOMIC AND MOLECULAR PHYSICS↗

Strongly Correlated States of Transition Metal Spin Defects: The Case of an Iron Impurity in Aluminum Nitride

We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated defect states. Here, we consider iron in aluminum nitride, a material of interest for hybrid quantum technologies, and we carry out calculations with quantum embedding methods, density matrix embedding theory (DMET) and quantum defect embedding theory (QDET), and with spin-flip time-dependent density functional theory (TDDFT). We show that both DMET and QDET accurately describe the ground state and low-lying excited states of the defect and that TDDFT yields photoluminescence spectra in agreement with experiments. In addition, we provide a detailed discussion of the convergence of our results as a function of the active space used in the embedding methods, thus defining a protocol to obtain converged data directly comparable with experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Protecting qubit coherence by spectrally engineered driving of the spin environment

Abstract Modern quantum technologies rely crucially on techniques to mitigate quantum decoherence; these techniques can be either passive, achieved for example via materials engineering, or active, typically achieved via pulsed monochromatic driving fields applied to the qubit. Using a solid-state defect spin coupled to a microwave-driven spin bath, we experimentally demonstrate a decoherence mitigation method based on spectral engineering of the environmental noise with a polychromatic drive waveform, and show that it outperforms monochromatic techniques. Results are in agreement with quantitative modeling, and open the path to active decoherence protection using custom-designed waveforms applied to the environment rather than the qubit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum coherence confined

Quantum coherence refers to the ability of a quantum state to maintain its entanglement and superposition in the face of interactions and the effects of thermalization. It is indispensable for quantum technologies — be they in sensing, transduction or computing — permitting them, in principle, to outperform their classical counterparts. To realize the promise of these technologies, one key challenge is to identify quantum states within systems that are quantum coherent. Now, writing in Nature Physics, Wen Lin Tan and collaborators report that they have used a system of trapped rare-earth-ion arrays to demonstrate a class of disorder-free quantum states that have enhanced coherence and experience anomalous patterns of thermalization1. Here, the pivotal notion behind their observations is the confinement of fundamental excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Universal crossed beam imaging studies of polyatomic reaction dynamics

The marriage between high level quantum calculations and experimental advances in laser technology, quantum state control, and detection techniques have opened the door to the study of molecular collision dynamics at a new level of detail. However, one current challenge lies in adapting these powerful strategies to address questions beyond the scope of the small ground state systems that have largely been the focus of reaction dynamics investigations to-date. For molecules with intermediate or large size (more than 6 atoms), lack of spectroscopic information and spectral congestion limit quantum state preparation, control and detection for experiment, and the large number of degrees of freedom of the system makes accurate quantum dynamics calculations prohibitively expensive. Nevertheless, studies of the chemical dynamics of such systems can reveal novel aspects of reactivity not anticipated based upon the behavior of smaller model systems. This Perspective will highlight applications of soft vacuum ultraviolet photoionization at 157 nm as a universal probe in combination with crossed beams and DC slice velocity map ion imaging to study bimolecular reaction dynamics of molecules of intermediate or large size, illuminated with support of high-level ab initio calculations. In this work, we report on the chemical dynamics of atomic oxygen or chlorine reactions with organic compounds: propanol isomers, alkylamines (N(CH 3 ) 3 and NH(CH 3 ) 2 ), and isobutene ((CH 3 ) 2 CCH 2 ) studied using this approach. The polyatomic radical products from the hydrogen abstraction process have been detected by 157 nm photoionization and their slice ion images embody translational energy and angular information that directly reflect the underlying collision dynamics. Various reaction mechanisms (such as direct abstraction and addition–elimination) along with the involvement of roaming dynamics and novel intersystem crossing pathways are presented. These demonstrate the power of this technique to reveal fundamentally new aspects of reaction dynamics that arise in larger reaction systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Full characterization of ultrathin 5-nm low-k dielectric bilayers: Influence of dopants and surfaces on the mechanical properties

Ultrathin films and multilayers, with controlled thickness down to single atomic layers, are critical for advanced technologies ranging from nanoelectronics to spintronics to quantum devices. However, for thicknesses less than 10 nm, surfaces and dopants contribute significantly to the film properties, which can differ dramatically from that of bulk materials. Therefore, for amorphous films being developed as low dielectric constant interfaces for nanoelectronics, the presence of surfaces or dopants can soften films and degrade their mechanical performance. Here we use coherent short-wavelength light to fully and nondestructively characterize the mechanical properties of individual films as thin as 5 nm within a bilayer. In general, we find that the mechanical properties depend both on the amount of doping and the presence of surfaces. In very thin (5-nm) silicon carbide bilayers with low hydrogen doping, surface effects induce a substantial softening - by almost an order of magnitude - compared with the same doping in thicker (46-nm) bilayers. These findings are important for informed design of ultrathin films for a host of nano- and quantum technologies, and for improving the switching speed and efficiency of next-generation electronics.

36 MATERIALS SCIENCE↗