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DOE OSTI2023

Quantum computing Floquet energy spectra

Quantum systems can be dynamically controlled using time-periodic external fields, leading to the concept of Floquet engineering, with promising technological applications. Computing Floquet energy spectra is harder than only computing ground state properties or single time-dependent trajectories, and scales exponentially with the Hilbert space dimension. Especially for strongly correlated systems in the low frequency limit, classical approaches based on truncation break down. Here, we present two quantum algorithms to determine effective Floquet modes and energy spectra. We combine the defining properties of Floquet modes in time and frequency domains with the expressiveness of parametrized quantum circuits to overcome the limitations of classical approaches. We benchmark our algorithms and provide an analysis of the key properties relevant for near-term quantum hardware.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Physics of the Inverted Harmonic Oscillator: From the lowest Landau level to event horizons

In this work, we present the inverted harmonic oscillator (IHO) Hamiltonian as a paradigm to understand the quantum mechanics of scattering and time-decay in a diverse set of physical systems. As one of the generators of area preserving transformations, the IHO Hamiltonian can be studied as a dilatation generator, squeeze generator, a Lorentz boost generator, or a scattering potential. In establishing these different forms, we demonstrate the physics of the IHO that underlies phenomena as disparate as the Hawking–Unruh effect and scattering in the lowest Landau level (LLL) in quantum Hall systems. We derive the emergence of the IHO Hamiltonian in the LLL in a gauge invariant way and show its exact parallels with the Rindler Hamiltonian that describes quantum mechanics near event horizons. This approach of studying distinct physical systems with symmetries described by isomorphic Lie algebras through the emergent IHO Hamiltonian enables us to reinterpret geometric response in the lowest Landau level in terms of relativistic effects such as Wigner rotation. Further, the analytic scattering matrix of the IHO points to the existence of quasinormal modes (QNMs) in the spectrum, which have quantized time-decay rates. We present a way to access these QNMs through wave packet scattering, thus proposing a novel effect in quantum Hall point contact geometries that parallels those found in black holes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Anatomy of information scrambling and decoherence in the integrable Sachdev-Ye-Kitaev model

The growth of information scrambling, captured by out-of-time-order correlation functions (OTOCs), is a central indicator of the nature of many-body quantum dynamics. Here, we compute analytically the complete time dependence of the OTOC for an integrable Sachdev-Ye-Kitaev (SYK) model, 𝑁 Majoranas with random two-body interactions of infinite range, coupled to a Markovian bath at finite temperature. In the limit of no coupling to the bath, the time evolution of scrambling experiences different stages. For 𝑡≲√𝑁, after an initial polynomial growth, the OTOC approaches saturation in a power-law fashion with oscillations superimposed. At 𝑡∼√𝑁, the OTOC reverses trend and starts to decrease linearly in time. The reason for this linear decrease is that, despite being a subleading 1/𝑁 effect, the OTOC in this region is governed by the spectral form factor of the antisymmetric couplings of the SYK model. The linear decrease stops at 𝑡∼2⁢𝑁, the Heisenberg time, where saturation occurs. The effect of the environment is an overall exponential decay of the OTOC for times longer than the inverse of the coupling strength to the bath. Here, the oscillations at 𝑡≲√𝑁 indicate lack of thermalization—a desired feature for better performance of quantum information devices.

Open quantum systems & decoherence↗
DOE OSTI2023

Large two-photon cross sections and low-threshold multiphoton lasing of CdS/CdSe/CdS quantum shells

Colloidal quantum shells are spherical semiconductor quantum wells, which have shown strong promise as optical materials, particularly in classes of experiments requiring multiple excitons. The two-photon properties of CdS/CdSe/CdS quantum shell samples are studied here to demonstrate large non-linear absorption cross-sections while retaining advantageous multiexciton physics conferred by the geometrical structure. The quantum shells have large two-phonon cross sections (0.4–7.9 × 10 6 GM), which highlights their potential use in upconversion imaging in which large per particle two-photon absorption is critical. Time-resolved measurements confirmed that the quantum shells have long biexciton lifetime (>10 ns in the largest core samples reported here) and large gain bandwidth (>300 meV). The combination of these attributes with large two-photon cross sections makes the CdS/CdSe/CdS quantum shells excellent gain media for two-photon excitation. With a broad gain bandwidth and long gain lifetime, quantum shell solids support multimodal amplified spontaneous emission from excitons, biexcitons, and higher excited states. In conclusion, thresholds for amplified spontaneous emission and lasing, which are as low as 1 mJ cm −2 , are comparable to, or lower than, the thresholds reported for other colloidal materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Zero-bias conductance peaks at zero applied magnetic field due to stray fields from integrated micromagnets in hybrid nanowire quantum dots

Many recipes for realizing topological superconductivity rely on broken time-reversal symmetry, which is often attained by applying a substantial external magnetic field. Alternatively, using magnetic materials can offer advantages through low-field operation and design flexibility on the nanoscale. Mechanisms for lifting spin degeneracy include exchange coupling, spin-dependent scattering, spin injection – all requiring direct contact between the bulk or induced superconductor and a magnetic material. Here, we implement locally broken time-reversal symmetry through dipolar coupling from nearby micromagnets to superconductor-semiconductor hybrid nanowire devices. Josephson supercurrent is hysteretic due to micromagnets switching. At or around zero external magnetic field, we observe an extended presence of Andreev bound states near zero voltage bias. We also show a zero-bias peak plateau of a non-quantized value. Our findings largely reproduce earlier results where similar effects were presented in the context of topological superconductivity in a homogeneous wire, and attributed to more exotic time-reversal breaking mechanisms [Nat. Phys. 17, 43 (2020)]. In contrast, our stray field profiles are not designed to create Majorana modes, and our data are compatible with a straightforward interpretation in terms of trivial states in quantum dots. At the same time, the use of micromagnets in hybrid superconductor-semiconductor devices shows promise for future experiments on topological superconductivity.

Jiang, Luyao [Univ. of Pittsburgh, PA (United Stat↗
DOE OSTI2022

DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials

Recently, the development of machine learning (ML) potentials has made it possible to perform large-scale and long-time molecular simulations with the accuracy of quantum mechanical (QM) models. However, for different levels of QM methods, such as density functional theory (DFT) at the meta-GGA level and/or with exact exchange, quantum Monte Carlo, etc., generating a sufficient amount of data for training an ML potential has remained computationally challenging due to their high cost. In this work, we demonstrate that this issue can be largely alleviated with Deep Kohn–Sham (DeePKS), an ML-based DFT model. DeePKS employs a computationally efficient neural network-based functional model to construct a correction term added upon a cheap DFT model. Upon training, DeePKS offers closely matched energies and forces compared with high-level QM method, but the number of training data required is orders of magnitude less than that required for training a reliable ML potential. As such, DeePKS can serve as a bridge between expensive QM models and ML potentials: one can generate a decent amount of high-accuracy QM data to train a DeePKS model and then use the DeePKS model to label a much larger amount of configurations to train an ML potential. Further, this scheme for periodic systems is implemented in a DFT package ABACUS, which is open source and ready for use in various applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Identity of the reversible hole traps in InP/ZnSe core/shell quantum dots

Density functional theory calculations are combined with time-resolved photoluminescence experiments to identify the species responsible for reversible trapping of holes following photoexcitation of InP/ZnSe/ZnS core/shell/shell quantum dots (QDs) having excess indium in the shell. Several possible assignments are considered, and a substitutional indium adjacent to a zinc vacancy, In 3+ /V Zn 2- , is found to be the most likely. This assignment is consistent with the observation that trapping occurs only when the QD has excess indium and is supported by experiments showing that the addition of zinc oleate or acetate decreases the extent of trapping, presumably by filling some of the vacancy traps. We also show that addition of alkyl carboxylic acids causes increased trapping, presumably by creation of additional zinc vacancies. The calculations show that either a single In 2+ ion or an In 2+ -In 3+ dimer is much too easily oxidized to form the reversible traps observed experimentally, while In 3+ is far too difficult to oxidize. Additional experimental data on InP/ZnSe/ZnS QDs synthesized in the absence of chloride demonstrates that the reversible traps are not associated with Cl - . Furthermore, a zinc vacancy adjacent to a substitutional indium is calculated to have its highest occupied orbitals about 1 eV above the top of the valence band of bulk ZnSe, in the appropriate energy range to act as reversible traps for quantum confined holes in the InP valence band. The associated orbitals are predominantly composed of p orbitals on the Se atoms adjacent to the Zn vacancy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Entanglement engineering of optomechanical systems by reinforcement learning

Entanglement is fundamental to quantum information science and technology, yet controlling and manipulating entanglement—so-called entanglement engineering—for arbitrary quantum systems remains a formidable challenge. There are two difficulties: the fragility of quantum entanglement and its experimental characterization. We develop a model-free deep reinforcement-learning (RL) approach to entanglement engineering, in which feedback control together with weak continuous measurement and partial state observation is exploited to generate and maintain desired entanglement. We employ quantum optomechanical systems with linear or nonlinear photon–phonon interactions to demonstrate the workings of our machine-learning-based entanglement engineering protocol. In particular, the RL agent sequentially interacts with one or multiple parallel quantum optomechanical environments, collects trajectories, and updates the policy to maximize the accumulated reward to create and stabilize quantum entanglement over an arbitrary amount of time. The machine-learning-based model-free control principle is applicable to the entanglement engineering of experimental quantum systems in general.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Quantum Networks for Resilient Power Grids: Theory and Simulated Evaluation

Quantum networks are considered the future of secure communication in the coming quantum era. Yet there lack significant efforts on developing practical quantum networks for power grids. Here, in this paper, we establish a quantum network-based power grid (QNetGrid) framework and develops a real-time, reliable, flexible, programmable, and cost-effective QNetGrid software testbed containing repeater-based quantum communication, quantum routing, real software-defined networking (SDN) switches, and real-time networked microgrids (NMs) operations. It makes the following contributions: 1) a repeater and routing based quantum network simulator (QNSim) is developed, 2) repeaters with and without quantum memories are respectively simulated in QNSim, 3) different routing scenarios in QNetGrid are investigated, 4) a real-time QNetGrid software testbed is built in RTDS incorporating QNSim and real SDN switches, and 5) various test cases are designed, and experimental results produced with the QNetGrid testbed provide valuable insights for building quantum networks in power grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Toward Consistent High-Fidelity Quantum Learning on Unstable Devices via Efficient In-Situ Calibration

In the near-term noisy intermediate-scale quantum (NISQ) era, high noise will significantly reduce the fidelity of quantum computing. What's worse, recent works reveal that the noise on quantum devices is not stable, that is, the noise is dynamically changing over time. This leads to an imminent challenging problem: At run-time, is there a way to efficiently achieve a consistent high-fidelity quantum system on unstable devices? To study this problem, we take quantum learning (a.k.a., variational quantum algorithm) as a vehicle, which has a wide range of applications, such as combinatorial optimization and machine learning. A straightforward approach is to optimize a variational quantum circuit (VQC) with a parameter-shift approach on the target quantum device before using it; however, the optimization has an extremely high time cost, which is not practical at run-time. To address the pressing issue, in this paper, we proposed a novel quantum pulse-based noise adaptation framework, namely QuPAD. In the proposed framework, first, we identify that the CNOT gate is the fidelity bottleneck of the conventional VQC, and we employ a more robust parameterized multi-qubit gate (i.e., Rzx gate) to replace CNOT gate. Second, by benchmarking Rzx gate with different parameters, we build a fitting function for each coupling qubit pair, such that the deviation between the theoretic output of Rzx gate and its on-device output under a given pulse amplitude and duration can be efficiently predicted. On top of this, an evolutionary algorithm is devised to identify the pulse amplitude and duration of each Rzx gate (i.e., calibration) and find the quantum circuits with high fidelity. Experiments show that the runtime on quantum devices of QuPAD with 8–10 qubits is less than 15 minutes, which is up to 270 x faster than the parameter-shift approach. In addition, compared to the vanilla VQC as a baseline, QuPAD can achieve 59.33% accuracy gain on a classification task, and average 66.34% closer to ground state energy for molecular simulation.

Hu, Zhirui↗
DOE OSTI2022

Sampling-based Sublinear Low-rank Matrix Arithmetic Framework for Dequantizing Quantum Machine Learning

We present an algorithmic framework for quantum-inspired classical algorithms on close-to-low-rank matrices, generalizing the series of results started by Tang’s breakthrough quantum-inspired algorithm for recommendation systems [STOC’19]. Motivated by quantum linear algebra algorithms and the quantum singular value transformation (SVT) framework of Gilyén et al. [STOC’19], we develop classical algorithms for SVT that run in time independent of input dimension, under suitable quantum-inspired sampling assumptions. Our results give compelling evidence that in the corresponding QRAM data structure input model, quantum SVT does not yield exponential quantum speedups. Since the quantum SVT framework generalizes essentially all known techniques for quantum linear algebra, our results, combined with sampling lemmas from previous work, suffice to generalize all prior results about dequantizing quantum machine learning algorithms. In particular, our classical SVT framework recovers and often improves the dequantization results on recommendation systems, principal component analysis, supervised clustering, support vector machines, low-rank regression, and semidefinite program solving. We also give additional dequantization results on low-rank Hamiltonian simulation and discriminant analysis. Our improvements come from identifying the key feature of the quantum-inspired input model that is at the core of all prior quantum-inspired results: ℓ 2 -norm sampling can approximate matrix products in time independent of their dimension. We reduce all our main results to this fact, making our exposition concise, self-contained, and intuitive.

Computer Science↗
DOE OSTI2023

Testing the mean field theory of scalar field dark matter

Scalar field dark matter offers an interesting alternative to the traditional WIMP dark matter picture. Astrophysical and cosmological simulations are useful to constraining the mass of the dark matter particle in this model. This is particularly true at low mass where the wavelike nature of the dark matter particle manifests on astrophysical scales. These simulations typical use a classical field approximation. In this work, we look at extending these simulations to include quantum corrections. We look into both the ways in which large corrections impact the predictions of scalar field dark matter, and the timescales on which these corrections grow large. Corrections tend to lessen density fluctuations and increase the effect of “quantum pressure”. During collapse, these corrections grow exponentially, quantum corrections would become important in about \sim 30 ∼ 30 dynamical times. This implies that the predictions of classical field simulations may differ from those with quantum corrections for systems with short dynamical times.

Eberhardt, Andrew↗
DOE OSTI2020

Quantum Spectral Methods for Differential Equations

Recently developed quantum algorithms address computational challenges in numerical analysis by performing linear algebra in Hilbert space. Such algorithms can produce a quantum state proportional to the solution of a d-dimensional system of linear equations or linear differential equations with complexity poly(logd). While several of these algorithms approximate the solution to within ϵ with complexity poly(log(1/ϵ)), no such algorithm was previously known for differential equations with time-dependent coefficients. In this work, we develop a quantum algorithm for linear ordinary differential equations based on so-called spectral methods, an alternative to finite difference methods that approximates the solution globally. Using this approach, we give a quantum algorithm for time-dependent initial and boundary value problems with complexity poly(logd, log(1/ϵ)).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Pathfinding quantum simulations of neutrinoless double- β decay

We present results from co-designed quantum simulations of the neutrinoless double- β decay of a simple nucleus in 1+1D quantum chromodynamics using IonQ’s Forte-generation trapped-ion quantum computers. Electrons, neutrinos, and up and down quarks are distributed across two lattice sites and mapped to 32 qubits, with an additional 4 qubits used for flag-based error mitigation. A four-fermion interaction is used to implement weak interactions, and lepton-number violation is induced by a neutrino Majorana mass. Quantum circuits that prepare the initial nucleus and time evolve with the Hamiltonian containing the strong and weak interactions are executed on IonQ Forte Enterprise. Enabled by tuned model parameters, lepton-number violation is observed in real time, providing a clear signal of neutrinoless double- β decay. This was made possible by co-designing the simulation to maximally utilize the all-to-all connectivity and native gate-set available on IonQ’s quantum computers. Quantum circuit compilation techniques and co-designed error-mitigation methods, informed from executing benchmarking circuits with up to 2,356 two-qubit gates, enabled observables to be extracted with high precision. We discuss the potential of future quantum simulations to provide yocto-second resolution of the reaction pathways in these, and other, nuclear processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Experimental Realization of Discrete Time Quasicrystals

Floquet (periodically driven) systems can give rise to unique nonequilibrium phases of matter without equilibrium analogs. The most prominent example is the realization of discrete time crystals. An intriguing question emerges: What other novel phases can manifest when the constraint of time periodicity is relaxed? In this study, we explore quantum systems subjected to a quasiperiodic drive. Leveraging a strongly interacting spin ensemble in diamond, we identify the emergence of long-lived discrete time quasicrystals. Unlike conventional time crystals, time quasicrystals exhibit robust subharmonic responses at multiple incommensurate frequencies. Furthermore, we show that the multifrequency nature of the quasiperiodic drive allows for the formation of diverse patterns associated with different discrete time quasicrystalline phases. Our findings demonstrate the existence of nonequilibrium phases in quasi-Floquet settings, significantly broadening the catalog of novel phenomena in driven many-body quantum systems.

Exotic phases of matter↗
DOE OSTI2026

Probing Cellular Activity Via Charge‐Sensitive Quantum Nanoprobes

Nitrogen‐vacancy (NV) based quantum sensors hold great potential for real‐time single‐cell sensing with far‐reaching applications in fundamental biology and medical diagnostics. Although highly sensitive, the mapping of quantum measurements onto cellular physiological states has remained an exceptional challenge. Here, we introduce a novel quantum sensing modality capable of detecting changes in cellular activity. Our approach is based on the detection of environment‐induced charge depletion within an individual particle that, owing to a previously unaccounted transverse dipole term, induces systematic shifts in the zero‐field splitting (ZFS). Importantly, these charge‐induced shifts serve as a reliable indicator for lipopolysaccharide (LPS)‐mediated inflammatory response in macrophages. Furthermore, we demonstrate that surface modification of our diamond nanoprobes effectively suppresses these environment‐induced ZFS shifts, providing an important tool for differentiating electrostatic shifts caused by the environment from other unrelated effects, such as temperature variations. Notably, this surface modification also leads to significant reductions in particle‐induced toxicity and inflammation. Our findings shed light on systematic drifts and sensitivity limits of NV spectroscopy in a biological environment with ramifications for the critical discussion surrounding single‐cell thermogenesis. Notably, this work establishes the foundation for a novel sensing modality capable of probing complex cellular processes through straightforward physical measurements.

band bending↗
DOE OSTI2021

The quantum p -spin glass model: a user manual for holographers

We study a large-N bosonic quantum mechanical sigma-model with a spherical target space subject to disordered interactions, more colloquially known as the p-spin spherical model. Replica symmetry is broken at low temperatures and for sufficiently weak quantum fluctuations, which drives the system into a spin glass (SG) phase. The first half of this paper is dedicated to a discussion of this model's thermodynamics, with particular emphasis on the marginally stable SG. This phase exhibits an emergent conformal symmetry in the strong coupling regime, which dictates its thermodynamic properties. It is associated with an extensive number of nearby states in the free energy landscape. We discuss in detail an elegant approximate solution to the SG equations, which interpolates between the conformal regime and an ultraviolet-complete short distance solution. In the second half of this paper we explore the real-time dynamics of the model and uncover quantum chaos as measured by out-of-time-order four-point functions, both numerically and analytically. We find exponential Lyapunov growth, which intricately depends on the model's couplings and becomes strongest in the quantum critical regime. We emphasize that the SG phase also exhibits quantum chaos, albeit with parametrically smaller Lyapunov exponent than in the replica symmetric phase. An analytical calculation in the marginal SG phase suggests that this Lyapunov exponent vanishes in a particular infinite coupling limit. Finally, we comment on the potential meaning of these observations from the perspective of holography.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗