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At least 433 records · Page 24

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DOE OSTI2023

Digital quantum simulation of NMR experiments

Simulations of nuclear magnetic resonance (NMR) experiments can be an important tool for extracting information about molecular structure and optimizing experimental protocols but are often intractable on classical computers for large molecules such as proteins and for protocols such as zero-field NMR. We demonstrate the first quantum simulation of an NMR spectrum, computing the zero-field spectrum of the methyl group of acetonitrile using four qubits of a trapped-ion quantum computer. We reduce the sampling cost of the quantum simulation by an order of magnitude using compressed sensing techniques. We show how the intrinsic decoherence of NMR systems may enable the zero-field simulation of classically hard molecules on relatively near-term quantum hardware and discuss how the experimentally demonstrated quantum algorithm can be used to efficiently simulate scientifically and technologically relevant solid-state NMR experiments on more mature devices. Our work opens a practical application for quantum computation.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Readout optimization of multi-amplifier sensing charge-coupled devices for single-quantum measurement

The non-destructive readout capability of the Skipper Charge Coupled Device (CCD) has been demonstrated to reduce the noise limitation of conventional silicon devices to levels that allow single-photon or single-electron counting. The noise reduction is achieved by taking multiple measurements of the charge in each pixel. These multiple measurements come at the cost of extra readout time, which has been a limitation for the broader adoption of this technology in particle physics, quantum imaging, and astronomy applications. This work presents recent results of a novel sensor architecture that uses multiple non-destructive floating-gate amplifiers in series to achieve sub-electron readout noise in a thick, fully-depleted silicon detector to overcome the readout time overhead of the Skipper-CCD. This sensor is called the Multiple-Amplifier Sensing Charge-Coupled Device (MAS-CCD) can perform multiple independent charge measurements with each amplifier, and the measurements from multiple amplifiers can be combined to further reduce the readout noise. We will show results obtained for sensors with 8 and 16 amplifiers per readout stage in new readout operations modes to optimize its readout speed. The noise reduction capability of the new techniques will be demonstrated in terms of its ability to reduce the noise by combining the information from the different amplifiers, and to resolve signals in the order of a single photon per pixel. The first readout operation explored here avoids the extra readout time needed in the MAS-CCD to read a line of the sensor associated with the extra extent of the serial register. The second technique explore the capability of the MAS-CCD device to perform a region of interest readout increasing the number of multiple samples per amplifier in a targeted region of the active area of the device.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Qubit-Efficient Quantum Chemistry with the ADAPT Variational Quantum Eigensolver and Double Unitary Downfolding

Here, in this work, we combine the recently developed double unitary coupled cluster (DUCC) theory with the adaptive, problem-tailored variational quantum eigensolver (ADAPT-VQE) to explore the accuracy of unitary downfolded Hamiltonians for quantum simulation of chemistry. We benchmark the ability of DUCC effective Hamiltonians to recover dynamical correlation energy outside of an active space. We consider the effects of strong correlation, commutator truncation, higher-body terms, and approximate external amplitudes on the accuracy of these effective Hamiltonians. When combining these DUCC Hamiltonians with ADAPT-VQE, we observe similar convergence of the ground state as compared with bare active space Hamiltonians, demonstrating that DUCC Hamiltonians provide increased accuracy without increasing the load on the quantum processor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Induced Superconducting Pairing in Integer Quantum Hall Edge States

Indium arsenide (InAs) near surface quantum wells (QWs) are promising for the fabrication of semiconductor–superconductor heterostructures given that they allow for a strong hybridization between the two-dimensional states in the quantum well and the ones in the superconductor. In this work, we present results for InAs QWs in the quantum Hall regime placed in proximity of superconducting NbTiN. We observe a negative downstream resistance with a corresponding reduction of Hall (upstream) resistance, consistent with a very high Andreev conversion. Further, we analyze the experimental data using the Landauer-Büttiker formalism, generalized to allow for Andreev reflection processes. We attribute the high efficiency of Andreev conversion in our devices to the large transparency of the InAs/NbTiN interface and the consequent strong hybridization of the QH edge modes with the states in the superconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Evidence for a monolayer excitonic insulator

The interplay between topology and correlations can generate a variety of quantum phases, many of which remain to be explored. Recent advances have identified monolayer WTe 2 as a promising material for doing so in a highly tunable fashion. The ground state of this two-dimensional crystal can be electrostatically tuned from a quantum spin Hall insulator to a superconductor. However, much remains unknown about the gap-opening mechanism of the insulating state. In this work, we report evidence that the quantum spin Hall insulator is also an excitonic insulator, arising from the spontaneous formation of electron–hole bound states, namely excitons. We reveal the presence of an intrinsic insulating state at the charge neutrality point in clean samples and confirm the correlated nature of this charge-neutral insulator by tunnelling spectroscopy. We provide evidence against alternative scenarios of a band insulator or a localized insulator and support the existence of an excitonic insulator phase in the clean limit. These observations lay the foundation for understanding a new class of correlated insulators with nontrivial topology and identify monolayer WTe 2 as a promising candidate for exploring quantum phases of ground-state excitons.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Simulation of open quantum systems via low-depth convex unitary evolutions

Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because they typically require ancilla qubits and extensive controlled sequences. In this work, we propose a hybrid quantum-classical approach for simulating a class of open system dynamics called random-unitary channels. These channels naturally decompose into a series of convex unitary evolutions, which can then be efficiently sampled and run as independent circuits. The method does not require deep ancilla frameworks and thus can be implemented with lower noise costs. We implement simulations of open quantum systems up to dozens of qubits and with large channel ranks. Published by the American Physical Society 2024

Peetz, Joseph (ORCID:0000000274458028)↗

DOE OSTI2024

Raman Sideband Cooling of Molecules in an Optical Tweezer Array to the 3D Motional Ground State

Ultracold polar molecules are promising for quantum information processing and searches for physics beyond the standard model. Laser cooling to ultracold temperatures is an established technique for trapped diatomic and triatomic molecules. Further cooling of the molecules to near the motional ground state is crucial for reducing various dephasings in quantum and precision applications. In this work, we demonstrate Raman sideband cooling (RSC) of CaF molecules in optical tweezers to near their motional ground state, with average motional occupation quantum numbers of n ¯ x = 0.16 ( 12 ) , n ¯ y = 0.17 ( 17 ) (radial directions), and n ¯ z = 0.22 ( 16 ) (axial direction), and a 3-D motional-ground-state probability of 54 ± 18 % of the molecules that survive the RSC. This process paves the way to increase molecular coherence times in optical tweezers for robust quantum computation and simulation applications. Published by the American Physical Society 2024

Physics↗

DOE OSTI2022

Phonons and phase symmetries in bulk CrCl 3 from scattering measurements and theory

Phonon-derived behaviors are important indicators of novel phenomena in transition metal trihalides, including spin liquid behavior, two-dimensional magnetism, and spin-lattice coupling. However, phonons and their dependence on spin structure and excitations have not been adequately explored. In this work, we probe and critically examine the vibrational properties of the prototype ferromagnetic honeycomb lattice material CrCl 3 using inelastic neutron scattering and density functional theory. We demonstrate that magnetic and van der Waals interactions are essential to describing the structure and phonons in CrCl 3 ; however, the specific spin configuration is unimportant. Further, this provides context for understanding thermal transport measurements as governed by dynamical spin-lattice couplings. More importantly, we introduce an efficient dynamic method that exploits translational symmetries in large conventional unit cells that generates insights into phonon dispersions, interactions, and measured spectra in terms of quantum phase interference conditions. This work opens new avenues for understanding phonons in layered magnets and more generally in conventional cell geometries of a variety of materials.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Enhancement of Rydberg Blockade via Microwave Dressing

Experimental control over the strength and angular dependence of interactions between atoms is a key capability for advancing quantum technologies. Here, in this work, we use microwave dressing to manipulate and enhance Rydberg-Rydberg interactions in an atomic ensemble. By varying the cloud length relative to the blockade radius and measuring the statistics of the light retrieved from the ensemble, we demonstrate a clear enhancement of the interaction strength due to microwave dressing. These results are successfully captured by a theoretical model that accounts for the excitation dynamics, atomic density distribution, and phase-matched retrieval efficiency. Our approach offers a versatile platform for further engineering interactions by exploiting additional features of the microwave fields, such as polarization and detuning, opening pathways for new quantum control strategies.

collective effects in quantum optics↗

DOE OSTI2021

Observation of a prethermal discrete time crystal

Extending the framework of statistical physics to the nonequilibrium setting has led to the discovery of previously unidentified phases of matter, often catalyzed by periodic driving. However, preventing the runaway heating that is associated with driving a strongly interacting quantum system remains a challenge in the investigation of these newly discovered phases. In this work, we utilize a trapped-ion quantum simulator to observe the signatures of a nonequilibrium driven phase without disorder—the prethermal discrete time crystal. Here, the heating problem is circumvented not by disorder-induced many-body localization, but rather by high-frequency driving, which leads to an expansive time window where nonequilibrium phases can emerge. Floquet prethermalization is thus presented as a general strategy for creating, stabilizing, and studying intrinsically out-of-equilibrium phases of matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Q-Cluster: Quantum Error Mitigation Through Noise-Aware Unsupervised Learning

Quantum error mitigation (QEM) is critical in reducing the impact of noise in the pre-fault-tolerant era, and is expected to complement error correction in fault-tolerant quantum computing (FTQC). In this work, we propose a novel QEM approach, Q-Cluster, that uses unsupervised learning (clustering) to reshape the measured bit-string distribution. Our approach starts with a simplified bit-flip noise model. It first performs clustering on noisy measurement results, i.e., bit-strings, based on the Hamming distance. The centroid of each cluster is calculated using a qubit-wise majority vote. Next, the noisy distribution is adjusted with the clustering outcomes and the bitflip error rates using Bayesian inference. Our simulation results show that Q-Cluster can mitigate high noise rates (up to 40% per qubit) with the simple bit-flip noise model. However, real quantum computers do not fit such a simple noise model. To address the problem, we (a) apply Pauli twirling to tailor the complex noise channels to Pauli errors, and (b) employ a machine learning model, ExtraTrees regressor, to estimate an effective bit-flip error rate using a feature vector consisting of machine calibration data (gate & measurement error rates), circuit features (number of qubits, numbers of different types of gates, etc.) and the shape of the noisy distribution (entropy). Our experimental results show that our proposed Q-Cluster scheme improves the fidelity by a factor of 1.46x, on average, compared to the unmitigated output distribution, for a set of low-entropy benchmarks on five different IBM quantum machines. Our approach outperforms the state-of-art QEM approaches RZNE [28], M3 [24], Hammer [35], and QBEEP [33] by 1.26x,1.29x,1.47x, and 2.65 x, respectively.

42 ENGINEERING↗

DOE OSTI2026

Dirac Fermions and Flat Bands in Phosphorus Carbide Nanotubes: Structural and Quantum Phase Transitions in a Quasi-One-Dimensional Material

Chemically realistic quasi-one-dimensional (1D) materials in which Dirac Fermions and highly degenerate flat bands coexist intrinsically at the Fermi level are exceedingly rare, while representing a highly desirable platform for correlated and topological quantum phenomena. Here, in this work, using specialized symmetry-adapted first-principles calculations we predict a new class of nanomaterials─phosphorus carbide nanotubes (P 2 C 3 NTs)─obtained by rolling monolayer P 2 C 3 , a two-dimensional material shown in a previous letter to host “double Kagome bands”. Both armchair and zigzag P 2 C 3 NTs are stable at room temperature and feature the rare coexistence of Dirac crossings and multiple flat bands at the Fermi level inherited from the underlying honeycomb–Kagome lattice, with the flat bands resilient to elastic deformations. Under large strain, the structure transforms from honeycomb–Kagome to “brick-wall”, accompanied by multiple coupled structural and quantum phase transitions. We also uncover localized edge states, spin splitting from vacancies and dopants, and strain-tunable magnetism. Together, these results establish P 2 C 3 NTs as a chemically specific and mechanically tunable 1D material platform with potential applications in quantum hardware and spintronics.

carbon nanotubes↗

DOE OSTI2022

Quantum thermodynamic devices: From theoretical proposals to experimental reality

Thermodynamics originated in the need to understand novel technologies developed by the Industrial Revolution. However, over the centuries, the description of engines, refrigerators, thermal accelerators, and heaters has become so abstract that a direct application of the universal statements to real-life devices is everything but straight forward. Furthermore, the recent, rapid development of quantum thermodynamics has taken a similar trajectory, and, e.g., “quantum engines” have become a widely studied concept in theoretical research. However, if the newly unveiled laws of nature are to be useful, we need to write the dictionary that allows us to translate abstract statements of theoretical quantum thermodynamics to physical platforms and working mediums of experimentally realistic scenarios. To assist in this endeavor, this review is dedicated to provide an overview over the proposed and realized quantum thermodynamic devices and to highlight the commonalities and differences of the various physical situations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Dirac Fermion Cloning, Moiré Flat Bands, and Magic Lattice Constants in Epitaxial Monolayer Graphene

Tuning interactions between Dirac states in graphene has attracted enormous interest because it can modify the electronic spectrum of the 2D material, enhance electron correlations, and give rise to novel condensed-matter phases such as superconductors, Mott insulators, Wigner crystals, and quantum anomalous Hall insulators. Previous works predominantly focus on the flat band dispersion of coupled Dirac states from different twisted graphene layers. Here in this work, a new route to realizing flat band physics in monolayer graphene under a periodic modulation from substrates is proposed. Graphene/SiC heterostructure is taken as a prototypical example and it is demonstrated experimentally that the substrate modulation leads to Dirac fermion cloning and, consequently, the proximity of the two Dirac cones of monolayer graphene in momentum space. Theoretical modeling captures the cloning mechanism of the Dirac states and indicates that moiré flat bands can emerge at certain magic lattice constants of the substrate, specifically when the period of modulation becomes nearly commensurate with the ($\sqrt{3}$ x $\sqrt{3}$) R30° supercell of graphene. Our results show that epitaxial single monolayer graphene on suitable substrates is a promising platform for exploring exotic many-body quantum phases arising from interactions between Dirac electrons.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Long-distance nuclear matrix elements for neutrinoless double-beta decay from lattice QCD

Neutrinoless double-beta ( 0 ν β β ) decay is a heretofore unobserved process which, if observed, would imply that neutrinos are Majorana particles. Interpretations of the stringent experimental constraints on 0 ν β β -decay half-lives require calculations of nuclear matrix elements. This work presents the first lattice quantum chromodynamics (LQCD) calculation of the matrix element for 0 ν β β decay in a multinucleon system, specifically the n n → p p e e transition, mediated by a light left-handed Majorana neutrino propagating over nuclear-scale distances. This calculation is performed with quark masses corresponding to a pion mass of m π = 806 MeV at a single lattice spacing and volume. The statistically cleaner Σ − → Σ + e e transition is also computed in order to investigate various systematic uncertainties. The prospects for matching the results of LQCD calculations onto a nuclear effective field theory to determine a leading-order low-energy constant relevant for 0 ν β β decay with a light Majorana neutrino are investigated. This work, therefore, sets the stage for future calculations at physical values of the quark masses that, combined with effective field theory and nuclear many-body studies, will provide controlled theoretical inputs to experimental searches of 0 ν β β decay. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

First-order crosstalk mitigation in parallel quantum gates driven with multi-photon transitions

Here, we demonstrate an order of magnitude reduction in the sensitivity to optical crosstalk for neighboring trapped-ion qubits during simultaneous single-qubit gates driven with individual addressing beams. Gates are implemented via two-photon Raman transitions, where crosstalk is mitigated by offsetting the drive frequencies for each qubit to avoid first-order crosstalk effects from inter-beam two-photon resonance. The technique is simple to implement, and we find that phase-dependent crosstalk due to optical interference is reduced on the most impacted neighbor from a maximal fractional rotation error of 0.185(4) without crosstalk mitigation to ≤0.006 with the mitigation strategy. Furthermore, we characterize first-order crosstalk in the two-qubit gate and avoid the resulting rotation errors for the arbitrary-axis Mølmer–Sørensen gate via a phase-agnostic composite gate. Finally, we demonstrate holistic system performance by constructing a composite CNOT gate using the improved single-qubit gates and phase-agnostic two-qubit gate. This work is done on the Quantum Scientific Computing Open User Testbed; however, our methods are widely applicable for individual addressing Raman gates and impose no significant overhead, enabling immediate improvement for quantum processors that incorporate this technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Can you sign a quantum state?

Cryptography with quantum states exhibits a number of surprising and counterintuitive features. In a 2002 work, Barnum et al. argue that these features imply that digital signatures for quantum states are impossible (Barnum et al., FOCS 2002). In this work, we ask: can all forms of signing quantum data, even in a possibly weak sense, be completely ruled out? We give two results which shed significant light on this basic question. First, we prove an impossibility result for digital signatures for quantum data, which extends the result of Barnum et al. Specifically, we show that no nontrivial combination of correctness and security requirements can be fulfilled, beyond what is achievable simply by measuring the quantum message and then signing the outcome. In other words, only classical signature schemes exist. We then show a positive result: a quantum state can be signed with the same security guarantees as classically, provided that it is also encrypted with the public key of the intended recipient. Following classical nomenclature, we call this notion quantum signcryption. Classically, signcryption is only interesting if it provides superior performance to encrypt-then-sign. Quantumly, it is far more interesting: it is the only signing method available. We develop "as-strong-as-classical" security definitions for quantum signcryption and give secure constructions based on post-quantum public-key primitives. Along the way, we show that a natural hybrid method of combining classical and quantum schemes can be used to "upgrade" a secure classical scheme to the fully-quantum setting, in a wide range of cryptographic settings including signcryption, authenticated encryption, and CCA security.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Quantum Control Landscapes Beyond the Dipole Approximation: Controllability, Singular Controls, and Resources

We investigate the control landscapes of closed n-level quantum systems beyond the dipole approximation by including a polarizability term in the Hamiltonian. The latter term is quadratic in the control field. Theoretical analysis of singular controls is presented, which are candidates for producing landscape traps. The results for considering the presence of singular controls are compared to their counterparts in the dipole approximation (i.e., without polarizability). A numerical analysis of the existence of traps in control landscapes for generating unitary transformations beyond the dipole approximation is made upon including the polarizability term. An extensive exploration of these control landscapes is achieved by creating many random Hamiltonians which include terms linear and quadratic in a single control field. The discovered singular controls are all found not to be local optima. This result extends a great body of recent work on typical landscapes of quantum systems where the dipole approximation is made. We further investigate the relationship between the magnitude of the polarizability and the fluence of the control resulting from optimization. It is also shown that including a polarizability term in an otherwise uncontrollable dipole coupled system removes traps from the corresponding control landscape by restoring controllability. We numerically assess the effect of a polarizability term on a known example of a particular three-level Λ-system with a second order trap in its control landscape. It is found that the addition of the polarizability removes the trap from the landscape. The general practical control implications of these simulations are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗