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DOE OSTI2021

Extending quantum probabilistic error cancellation by noise scaling

Here, we propose a general framework for quantum error mitigation that combines and generalizes two techniques: probabilistic error cancellation (PEC) and zero-noise extrapolation (ZNE). Similar to PEC, the proposed method represents ideal operations as linear combinations of noisy operations that are implementable on hardware. However, instead of assuming a fixed level of hardware noise, we extend the set of implementable operations by noise scaling. By construction, this method encompasses both PEC and ZNE as particular cases and allows us to investigate a larger set of hybrid techniques. For example, gate extrapolation can be used to implement PEC without requiring knowledge of the device’s noise model, e.g., avoiding gate-set tomography. Alternatively, probabilistic error reduction can be used to estimate expectation values at intermediate virtual noise strengths (below the hardware level), leading to partially mitigated results at a lower sampling cost. Moreover, multiple results obtained with different noise-reduction factors can be further postprocessed with ZNE to better approximate the zero-noise limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Observation of half-integer Shapiro steps in graphene Josephson junctions

We study quantum transport and AC Josephson effect of hexagonal boron nitride encapsulated graphene (BGB) Josephson junctions (JJs). Our experiments reveal the emergence of the half-integer Shapiro steps in the n-type regime with high electron carrier densities. We attribute this observation to the gate-tunable transmission probability of the graphene junction. Furthermore, our numerical simulations are consistent with the appearance of half-integer Shapiro steps at high transparency, which suggests a skewed current phase relationship in the graphene JJ.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Electrical control of spin relaxation anisotropy during drift transport in a two-dimensional electron gas

Spin relaxation was studied in a two-dimensional electron gas confined in a wide GaAs quantum well. Recently, the control of the spin relaxation anisotropy by diffusive motion was first shown in D. Iizasa et al., arXiv:2006.08253. Here, we demonstrate electrical control by drift transport in a system with two subbands occupied. The combined effect of in-plane and gate voltages was investigated using time-resolved Kerr rotation. Furthermore, the measured relaxation time presents strong anisotropy with respect to the transport direction. For an in-plane accelerating electric field along [110], the lifetime was strongly suppressed irrespective of the applied gate voltage. Remarkably, for transport along [$1\bara{1}0$], the data shows spin lifetime that was gate dependent and longer than in the [110] direction regardless of the in-plane voltage. In agreement, independent results of anisotropic spin precession frequencies are also presented. Nevertheless, the long spin lifetime, strong anisotropy and drift response seen in the data are beyond the existing models for spin drift and diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Nonunitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation

Accurately describing strongly correlated systems with affordable quantum resources remains a central challenge for quantum chemistry applications on near and intermediate term quantum computers. The localized active space self-consistent field (LASSCF) approximates the complete active space self-consistent field (CASSCF) by generating active space-based wave functions within specific fragments while treating interfragment correlation with mean-field approach, hence is computationally less expensive. Hardware-efficient ansatzes (HEA) offer affordable and shallower circuits, yet they often fail to capture the necessary correlation. Previously, Jastrow-factor-inspired nonunitary qubit operators were proposed to use with HEA for variational quantum eigensolver (VQE) calculations (so-called nuVQE), as they do not increase circuit depths and recover correlation beyond the mean-field level for Hartree–Fock initial states. Here, in this study, we explore running nuVQE with LASSCF as the initial state. The method, named LAS-nuVQE, is shown to recover interfragment correlations, reach chemical accuracy with a small number of gates (<70) in both H 4 and square cyclobutadiene (C 4 H 4 ), and produces more accurate energetics than its HEA counterparts at all circuit depths. To further address the inherent symmetry-breaking in HEA, we implemented spin-constrained LAS-nuVQE to extend the capabilities of HEA further and show spin-pure results for square cyclobutadiene. We also mitigate the increased measurement overhead of nuVQE via Pauli grouping and shot-frugal sampling, reducing measurement costs by up to 2 orders of magnitude compared to ungrouped operator, and show that one can achieve better accuracy with a small number of shots (10 3–4 ) per one expectation value calculation compared to noiseless simulations with one or two orders of magnitude more shots. Finally, wall clock time estimates show that, with our measurement mitigation protocols, nuVQE becomes a cheaper and more accurate alternative than vanilla VQE with HEA. Taken together, these developments illustrate a practical pathway toward performing multireference chemical simulations with accuracy and affordable resources on today’s quantum hardware, achieving both accuracy and affordability in challenging correlated systems.

Wang, Qiaohong [Univ. of Chicago, IL (United State↗

DOE OSTI2021

A small heterocyclic molecule as a multistate transistor: a quantum many-body approach

Weakly coupled molecular junctions are an active and important field of research due to their non-linear charge carrier transport. In this study, we investigate transport properties in a weakly coupled molecule, B 2 C 2 N 2 H 6 , using a combined quantum many-body approach and kinetic (master) equations. Various non-linear current–voltage characteristics such as negative differential conductance (NDC), rectifications, and Coulomb staircase, which are the hallmarks of multistate transport devices, have been obtained. We further explore the effect of different perturbations such as gate voltage and perpendicular magnetic field on molecular transport. Depending on the strength of the applied perturbing field, several phenomena such as current switching, and suppression of NDC, have been realized in the device. This study demonstrates small molecules as promising components in next-generation nano-devices.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Numerical Simulations of Noisy Variational Quantum Eigensolver Ansatz Circuits

This is a case study of the variational quantum eigensolver (VQE) method using numerical simulations to test the influence of noise on the accuracy of the underlying circuit ansatz. We investigate a computational chemistry application of VQE to calculate the electronic ground state and its energy for Sodium Hydride (NaH), a prototypical two-electron problem. Using a one-parameter ansatz derived from unitary coupled cluster (UCC) theory, we simulate the effects of noise on the energy expectation value and variance with respect to the ansatz parameter. These numerical simulations provide insights into the accuracy of the prepared quantum state and the efficiency of the classical optimizer that iteratively refines the ansatz. We conduct a comparative study between analytical results derived for the UCC ansatz in the absence of noise and the noisy numerical simulation results obtained using an isotropic depolarizing noise model for each gate. We also compare the relative increase in noise on logically equivalent UCC ansatz circuits generated by randomized compiling. Notably, we observe that the intrinsic variance in the energy due to the simplicity of the ansatz itself compares with the noise induced by the bare circuit.

Gowrishankar, Meenambika↗

DOE OSTI2024

Optimal Control for Fourier Transform on Qudits

In this work, we develop a protocol to find the optimal control pulse for implementing the Quantum Fourier Transform (QFT) on qudit-based hardware. We focus on two types of controls: (1) qubit-qudit dispersive coupling with qubit and qudit drives, and (2) qubit-qudit system with tunable coupling and qubit drive. We observe that for both systems, the minimum gate time grows linearly as a function of the size of the logical space. We find that the latter system supports faster pulses, requiring 45% shorter pulse time.

Ha, Triet↗

DOE OSTI2024

Nanoelectromechanical Control of Spin–Photon Interfaces in a Hybrid Quantum System on Chip

Color centers (CCs) in nanostructured diamond are promising for optically linked quantum technologies. Scaling to useful applications motivates architectures meeting the following criteria: C1 individual optical addressing of spin qubits; C2 frequency tuning of spin-dependent optical transitions; C3 coherent spin control; C4 active photon routing; C5 scalable manufacturability; and C6 low on-chip power dissipation for cryogenic operations. Here, we introduce an architecture that simultaneously achieves C1–C6. We realize piezoelectric strain control of diamond waveguide-coupled tin vacancy centers with ultralow power dissipation necessary. The DC response of our device allows emitter transition tuning by over 20 GHz, combined with low-power AC control. We show acoustic spin resonance of integrated tin vacancy spins and estimate single-phonon coupling rates over 1 kHz in the resolved sideband regime. Combined with high-speed optical routing, our work opens a path to scalable single-qubit control with optically mediated entangling gates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

Many-Body Majorana Braiding without an Exponential Hilbert Space

Qubits built out of Majorana zero modes constitute the primary path toward topologically protected quantum computing. Simulating the braiding process of multiple Majorana zero modes corresponds to the quantum dynamics of a superconducting many-body system. It is crucial to study the Majorana dynamics both in the presence of all other quasiparticles and for reasonably large system sizes. We present a method to calculate arbitrary many-body wave functions as well as their expectation values, correlators, and overlaps from time evolved single-particle states of a superconductor, allowing for significantly larger system sizes. We calculate the fidelity, transition probabilities, and joint parities of Majorana pairs to track the quality of the braiding process. Here, we show how the braiding success depends on the speed of the braid. Moreover, we demonstrate the topological CNOT two-qubit gate as an example of two-qubit entanglement. Our Letter opens the path to test and analyze the many theoretical implementations of Majorana qubits. Moreover, this method can be used to study the dynamics of any noninteracting superconductor.

Majorana bound states↗

DOE OSTI2023

Microwave-Based Quantum Control and Coherence Protection of Tin-Vacancy Spin Qubits in a Strain-Tuned Diamond-Membrane Heterostructure

Robust spin-photon interfaces in solids are essential components in quantum networking and sensing technologies. Ideally, these interfaces combine a long-lived spin memory, coherent optical transitions, fast and high-fidelity spin manipulation, and straightforward device integration and scaling. The tin- vacancy center (SnV) in diamond is a promising spin-photon interface with desirable optical and spin properties at 1.7 K. However, the SnV spin lacks efficient microwave control, and its spin coherence degrades with higher temperature. In this work, we introduce a new platform that overcomes these challenges—SnV centers in uniformly strained thin diamond membranes. The controlled generation of crystal strain introduces orbital mixing that allows microwave control of the spin state with 99.36(9)% gate fidelity and spin coherence protection beyond a millisecond. Moreover, the presence of crystal strain suppresses temperature-dependent dephasing processes, leading to a considerable improvement of the coherence time up to 223(10) μs at 4 K, a widely accessible temperature in common cryogenic systems. Critically, the coherence of optical transitions is unaffected by the elevated temperature, exhibiting nearly lifetime-limited optical linewidths. Combined with the compatibility of diamond membranes with device integration, the demonstrated platform is an ideal spin-photon interface for future quantum technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Quantum limits of superconducting-photonic links and their extension to millimeter waves

Photonic addressing of superconducting circuits has been proposed to overcome wiring complexity and heat-load challenges. However, such superconducting-photonic links suffer from an efficiency-noise trade-off that limits scalability. This trade-off arises because increasing power conversion efficiency entails reducing optical power, which makes the converted signal susceptible to shot noise. We analyze this trade-off and find that the laser-driven qubit gate infidelity scales inversely with the number of photons used. While methods such as nonlinear detection or squeezed light could mitigate this effect, we consider generating higher-frequency electrical signals, such as millimeter waves (100 GHz), using laser light. At these higher frequencies, circuits have higher operating temperatures and cooling power budgets and alleviate constraints posed by the trade-off. Therefore, we demonstrate an optically driven cryogenic millimeter-wave source with a maximum power efficiency of 8 ×10 −5 that can generate a maximum of 0.7 μ⁢W of 80 GHz power, with a 1200-thermal-photon equivalent of added noise at 4K. Using this source, we perform frequency-domain spectroscopy of superconducting NbTiN resonators at 80–90 GHz. Our results show a promising approach to lessen the efficiency-noise constraints on superconducting-photonic links, while leveraging the benefits of photonic signal delivery. Further optimization of power efficiency and noise at high frequencies could make scalable photonic control of superconducting qubits viable at temperatures exceeding 1K.

Optoelectronics↗

DOE OSTI2026

Gate-Tunable Single Terahertz Meta-Atom Ultrastrong Light-Matter Coupling

We study the electrical tunability of ultrastrong light-matter interactions between a single terahertz circuit-based complementary split ring resonator (cSRR) and a two-dimensional electron gas. For this purpose, transmission spectroscopy measurements are performed under the influence of a strong magnetic field at different set points for the electric gate bias. The resulting Landau polariton dispersion depends on the applied electric bias, as the gating technique confines the electrons in-plane down to extremely subwavelength dimensions as small as d = 410 nm. This confinement allows for the excitation of standing plasma waves at zero magnetic field and an effective tunability of the electron number coupled to the THz resonator. This allows the normalized coupling strength to be tuned in situ from η = 0.46 down to η = 0.18. This is the first demonstration of terahertz far-field spectroscopy of an electrically tunable interaction between a single terahertz resonator and electrons in a GaAs quantum well heterostructure.

Landau levels↗

DOE OSTI2023

3D Quantum Anomalous Hall Effect in Magnetic Topological Insulator Trilayers of Hundred‐Nanometer Thickness

Magnetic topological states refer to a class of exotic phases in magnetic materials with the non-trivial topological property determined by magnetic spin configurations. An example of such states is the quantum anomalous Hall (QAH) state, which is a zero magnetic field manifestation of the quantum Hall effect. Current research in this direction focuses on QAH insulators with a thickness of less than 10 nm. Here, molecular beam epitaxy (MBE) is employed to synthesize magnetic TI trilayers with a thickness of up to ≈106 nm. It is found that these samples exhibit well-quantized Hall resistance and vanishing longitudinal resistance at zero magnetic field. By varying the magnetic dopants, gate voltages, temperature, and external magnetic fields, the properties of these thick QAH insulators are examined and the robustness of the 3D QAH effect is demonstrated. The realization of the well-quantized 3D QAH effect indicates that the nonchiral side surface states of the thick magnetic TI trilayers are gapped and thus do not affect the QAH quantization. The 3D QAH insulators of hundred-nanometer thickness provide a promising platform for the exploration of fundamental physics, including axion physics and image magnetic monopole, and the advancement of electronic and spintronic devices to circumvent Moore's law.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Shape evolution in even-mass 98-104 Zr isotopes via lifetime measurements using the $\gamma \gamma $-coincidence technique

The Zirconium (Z = 40) isotopic chain has attracted interest for more than four decades. The abrupt lowering of the energy of the first 2 + state and the increase in the transition strength B(E2; 2$^+_1$ →0$^+_1$) going from 98 Zr to 100 Zr has been the first example of “quantum phase transition” in nuclear shapes, which has few equivalents in the nuclear chart. Although a multitude of experiments have been performed to measure nuclear properties related to nuclear shapes and collectivity in the region, none of the measured lifetimes were obtained using the Recoil Distance Doppler Shift method in the γγ-coincidence mode where a gate on the direct feeding transition of the state of interest allows a strict control of systematical errors. Here this work reports the results of lifetime measurements for the first yrast excited states in 98-104 Zr carried out to extract reduced transition probabilities. The new lifetime values in γγ-coincidence and γ-single mode are compared with the results of former experiments. Recent predictions of the Interacting Boson Model with Configuration Mixing, the Symmetry Conserving Configuration Mixing model based on the Hartree–Fock–Bogoliubov approach and the Monte Carlo Shell Model are presented and compared with the experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2001

Quantum Mechanical Modeling of Ballistic MOSFETs

The objective of this project was to develop theory, approximations, and computer code to model quasi 1D structures such as nanotubes, DNA, and MOSFETs: (1) Nanotubes: Influence of defects on ballistic transport, electro-mechanical properties, and metal-nanotube coupling; (2) DNA: Model electron transfer (biochemistry) and transport experiments, and sequence dependence of conductance; and (3) MOSFETs: 2D doping profiles, polysilicon depletion, source to drain and gate tunneling, understand ballistic limit.

Svizhenko, Alexei↗

DOE OSTI2022

Nanoscale Control of the Metal–Insulator Transition at LaAlO 3 /KTaO 3 Interfaces

Recent reports of superconductivity at KTaO 3 (KTO) (110) and (111) interfaces have sparked intense interest due to the relatively high critical temperature as well as other properties that distinguish this system from the more extensively studied SrTiO 3 (STO)-based heterostructures. Here, we report the reconfigurable creation of conducting structures at intrinsically insulating LaAlO 3 / KTO(110) and (111) interfaces. Devices are created using two distinct methods previously developed for STO-based heterostruc-tures: (1) conductive atomic-force microscopy lithography and (2) ultralow-voltage electron-beam lithography. At low temperatures, KTO(110)-based devices show superconductivity that is tunable by an applied back gate. A one-dimensional nanowire device shows single-electron-transistor (SET) behavior. A KTO(111)-based device is metallic but does not become superconducting. Finally, these reconfigurable methods of creating nanoscale devices in KTO-based heterostructures offer new avenues for investigating mechanisms of superconductivity as well as development of quantum devices that incorporate strong spin-orbit interactions, superconducting behavior, and nanoscale dimensions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Beam steering at the nanosecond time scale with an atomically thin reflector

Techniques to mold the flow of light on subwavelength scales enable fundamentally new optical systems and device applications. The realization of programmable, active optical systems with fast, tunable components is among the outstanding challenges in the field. Here, we experimentally demonstrate a few-pixel beam steering device based on electrostatic gate control of excitons in an atomically thin semiconductor with strong light-matter interactions. By combining the high reflectivity of a MoSe 2 monolayer with a graphene split-gate geometry, we shape the wavefront phase profile to achieve continuously tunable beam deflection with a range of 10°, two-dimensional beam steering, and switching times down to 1.6 nanoseconds. Our approach opens the door for a new class of atomically thin optical systems, such as rapidly switchable beam arrays and quantum metasurfaces operating at their fundamental thickness limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1999

Multi-Dimensional Quantum Tunneling and Transport Using the Density-Gradient Model

We show that quantum effects are likely to significantly degrade the performance of MOSFETs (metal oxide semiconductor field effect transistor) as these devices are scaled below 100 nm channel length and 2 nm oxide thickness over the next decade. A general and computationally efficient electronic device model including quantum effects would allow us to monitor and mitigate these effects. Full quantum models are too expensive in multi-dimensions. Using a general but efficient PDE solver called PROPHET, we implemented the density-gradient (DG) quantum correction to the industry-dominant classical drift-diffusion (DD) model. The DG model efficiently includes quantum carrier profile smoothing and tunneling in multi-dimensions and for any electronic device structure. We show that the DG model reduces DD model error from as much as 50% down to a few percent in comparison to thin oxide MOS capacitance measurements. We also show the first DG simulations of gate oxide tunneling and transverse current flow in ultra-scaled MOSFETs. The advantages of rapid model implementation using the PDE solver approach will be demonstrated, as well as the applicability of the DG model to any electronic device structure.

Biegel, Bryan A.↗