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Results for “superconducting quantum computing”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Variational description of the ground state of the repulsive two-dimensional Hubbard model in terms of nonorthogonal symmetry-projected Slater determinants

The few determinant (FED) methodology, introduced in our previous works for 1D lattices, is here adapted for the repulsive two-dimensional Hubbard model at half-filling and with finite doping fractions. Within this configuration mixing scheme, a given ground state with well defined spin and space group quantum numbers, is expanded in terms of a nonorthogonal symmetry-projected basis determined through chains of variation-after projection calculations. The results obtained for the ground state and correlation energies of half-filled and doped 4×4, 6×6, 8×8, and 10×10 lattices, as well as momentum distributions and spin-spin correlation functions in small lattices, compare well with those obtained using other state-of-the-art approximations. The structure of the intrinsic determinants resulting from the variational strategy is interpreted in terms of defects that encode information on the basic units of quantum fluctuations in the considered 2D systems. The varying nature of the underlying quantum fluctuations, reflected in a transition to a stripe regime for increasing onsite repulsions, is discussed using the intrinsic determinants belonging to a 16×4 lattice with 56 electrons. Such a transition is further illustrated by computing spin-spin and charge-charge correlation functions with the corresponding multireference FED wave functions. In good agreement with previous studies, the analysis of the pairing correlation functions reveals a weak enhancement of the extended s-wave and $d_x2-_y2$ pairing modes. Finally, given the quality of results here reported together with those previously obtained for 1D lattices and the parallelization properties of the FED scheme, we believe that symmetry projection techniques are very well suited for building ground state wave functions of correlated electronic systems, regardless of their dimensionality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Observing Quantum Measurement Collapse as a Learnability Phase Transition

During a quantum measurement, superpositions of states with different observable properties probabilistically collapse into one with a sharp value of the measured observable. In macroscopic quantum systems, this collapse arises via a continuous measurement-induced phase transition (MIPT) at a critical value of the strength of interaction with the measurement apparatus. MIPTs lie outside established paradigms for equilibrium or nonequilibrium critical phenomena and delineate distinct, stable dynamical and computational phases of matter. Quantum computers enable programmable simulation of the interaction of a measurement apparatus with a dynamical quantum system, to explore MIPT phenomena over a range of system sizes while retaining quantum coherence. Yet, existing experimental protocols rely on fundamentally nonscalable postselection techniques or direct classical simulation of quantum circuits. Here, we report the scalable observation of finite-size scaling evidence for an observable-sharpening MIPT in monitored quantum circuits in a chain of Yb + 171 ions in Quantinuum’s H1-1 trapped-ion quantum processor. By leveraging an equivalent description as a statistical physics problem, we implement scalable classical algorithms to infer the value of the measured observable from a single experimental shot. This technique enables a truly scalable protocol to observe observable-sharpening MIPTs in generic classes of circuits that cannot be directly classically simulated and also provides enhanced means to detect and suppress errors in the quantum simulation. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

High-temperature Superconducting Interconnects for Ultra-low Temperature, High-field Environments

Coplanar (with the ground) 20 cm long waveguides are manufactured from the YBCO-on-Kapton material. We investigate the effect of parasitic ground plane resonances on the performance of these waveguides. Here, it is concluded that dense rows stitching vias are essential for isolating the lines to a level below 60 dB at 6 GHz. We demonstrate a metalized via technology that is compatible with both the traditional Flexible Printed Circuit (FPC) process and the epitaxial YBCO material. Stitching via fence with the via period 10 mm is shown as effective in suppressing parasitic resonances at 77 K.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Radiative heat transfer in 2D Dirac materials

We compute the radiative heat transfer between two sheets of 2D Dirac materials, including topological Chern insulators and graphene, within the framework of the local approximation for the optical response of these materials. In this approximation, which neglects spatial dispersion, we derive both numerically and analytically the short-distance asymptotic of the near-field heat transfer in these systems, and show that it scales as the inverse of the distance between the two sheets. In conclusion, we discuss the limitations to the validity of this scaling law imposed by spatial dispersion in 2D Dirac materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Nontrivial fusion of Majorana zero modes in interacting quantum-dot arrays

Motivated by recent experimental reports of Majorana zero modes (MZMs) in quantum-dot systems at the “sweet spot,” where the electronic hopping t ℎ is equal to the superconducting coupling Δ, we study the time-dependent spectroscopy corresponding to the nontrivial fusion of MZMs. The term “nontrivial” refers to the fusion of Majoranas from different original pairs of MZMs, each with well-defined parities. We employ an experimentally accessible time-dependent real-space local density-of-states (LDOS) method to investigate the nontrivial MZM fusion outcomes in canonical chains and in a Y-shaped array of interacting electrons. In the case of quantum-dot chains where two pairs of MZMs are initially disconnected, after fusion we find equal-height peaks in the electron and hole components of the LDOS, signaling nontrivial fusion into both the vacuum I and fermion Ψ channels with equal weight. For π-junction quantum-dot chains, where the superconducting phase has opposite signs on the left and right portions of the chain, after the nontrivial fusion we observed the formation of an exotic two-site MZM near the center of the chain, coexisting with another single-site MZM. Furthermore, we also studied the fusion of three MZMs in the Y-shaped geometry. In this case, after the fusion we observed the novel formation of another exotic multisite MZM, with properties depending on the connection and geometry of the central region of the Y-shaped quantum-dot array.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model

Here, we demonstrate the capability of creating robust density functional tight binding (DFTB) models for chemical reactivity in prebiotic mixtures through force matching to short time scale quantum free energy estimates. Molecular dynamics using density functional theory (DFT) is a highly accurate approach to generate free energy surfaces for chemical reactions, but the extreme computational cost often limits the time scales and range of thermodynamic states that can feasibly be studied. In contrast, DFTB is a semiempirical quantum method that affords up to a thousandfold reduction in cost and can recover DFT-level accuracy. Here, we show that a force-matched DFTB model for aqueous glycine condensation reactions yields free energy surfaces that are consistent with experimental observations of reaction energetics. Convergence analysis reveals that multiple nanoseconds of combined trajectory are needed to reach a steady-fluctuating free energy estimate for glycine condensation. Predictive accuracy of force-matched DFTB is demonstrated by direct comparison to DFT, with the two approaches yielding surfaces with large regions that differ by only a few kcal mol –1 .

36 MATERIALS SCIENCE↗
DOE OSTI2014

Computational prediction of two-dimensional group-IV mono-chalcogenides

Density functional calculations determine the structure, stability, and electronic properties of two-dimensional materials in the family of group-IV monochalcogenides, MX (M = Ge, Sn, Pb; X = O, S, Se, Te). Calculations with a van der Waals functional show that the two-dimensional IV-VI compounds are most stable in either a highly distorted NaCl-type structure or a single-layer litharge type tetragonal structure. Their formation energies are comparable to single-layer MoS{sub 2}, indicating the ease of mechanical exfoliation from their layered bulk structures. The phonon spectra confirm their dynamical stability. Using the hybrid HSE06 functional, we find that these materials are semiconductors with bandgaps that are generally larger than for their bulk counterparts due to quantum confinement. The band edge alignments of monolayer group IV-VI materials reveal several type-I and type-II heterostructures, suited for optoelectronics and solar energy conversion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Ab initio exact diagonalization simulation of the Nagaoka transition in quantum dots

Recent progress of quantum simulators provides insight into the fundamental problems of strongly correlated systems. To adequately assess the accuracy of these simulators, the precise modeling of the many-body physics, with accurate model parameters, is crucially important. In this paper, we employed an ab initio exact diagonalization framework to compute the correlated physics of a few electrons in artificial potentials. We apply this approach to a quantum-dot system and study the magnetism of the correlated electrons, obtaining good agreement with recent experimental measurements in a plaquette. Through control of dot potentials and separation, including geometric manipulation of tunneling, we examine the Nagaoka transition and determine the robustness of the ferromagnetic state. While the Nagaoka theorem considers only a single-band Hubbard model, in this work we perform extensive ab initio calculations that include realistic multiorbital conditions in which the level splitting is smaller than the interactions. In this work, this simulation complements the experiments and provides insight into the formation of ferromagnetism in correlated systems. More generally, our calculation sets the stage for further theoretical analysis of analog quantum simulators at a quantitative level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Role of bath-induced many-body interactions in the dissipative phases of the Su-Schrieffer-Heeger model

The Su-Schrieffer-Heeger chain is a prototype example of a symmetry-protected topological insulator. Coupling it nonperturbatively to local thermal environments, either through the intercell or the intracell fermion tunneling elements, modifies the topological window. To understand this effect, we employ the recently developed reaction-coordinate polaron transform (RCPT) method, which allows treating system-bath interactions at arbitrary strengths. The effective system Hamiltonian, which is obtained via the RCPT, exposes the impact of the baths on the SSH chain through renormalization of tunneling elements and the generation of many-body interaction terms. By performing exact diagonalization and computing the ensemble geometric phase, a topological invariant, which is applicable even to systems at finite temperature, we distinguish the trivial band insulator (BI) from the topological insulator (TI) phases. Furthermore, through the RCPT mapping, we are able to pinpoint the main mechanism behind the extension of the parameter space for the TI or the BI phases (depending on the coupling scheme, intracell or intercell), which is the bath-induced, dimerized, many-body interaction. In conclusion, we also study the effect of on-site staggered potentials on the SSH phase diagram and discuss extensions of our method to higher dimensions.

1-dimensional systems↗
DOE OSTI2023

Spectral-partitioned Kohn-Sham density functional theory

Here we introduce a general, variational scheme for systematic approximation of a given Kohn-Sham free-energy functional by partitioning the density matrix into distinct spectral domains, each of which may be spanned by an independent diagonal representation without requirement of mutual orthogonality. It is shown that by generalizing the entropic contribution to the free energy to allow for independent representations in each spectral domain, the free energy becomes an upper bound to the exact (unpartitioned) Kohn-Sham free energy, attaining this limit as the representations approach Kohn-Sham eigenfunctions. A numerical procedure is devised for calculation of the generalized entropy associated with spectral partitioning of the density matrix. The result is a powerful framework for Kohn-Sham calculations of systems whose occupied subspaces span multiple energy regimes. As a case in point, we apply the proposed framework to warm- and hot-dense matter described by finite-temperature density functional theory, where at high energies the density matrix is represented by that of the free-electron gas, while at low energies it is variationally optimized. We derive expressions for the spectral-partitioned Kohn-Sham Hamiltonian, atomic forces, and macroscopic stresses within the projector-augmented wave (PAW) and the norm-conserving pseudopotential methods. It is demonstrated that at high temperatures, spectral partitioning facilitates accurate calculations at dramatically reduced computational cost. Moreover, as temperature is increased, fewer exact Kohn-Sham states are required for a given accuracy, leading to further reductions in computational cost. Finally, it is shown that standard multiprojector expansions of electronic orbitals within atomic spheres in the PAW method lack sufficient completeness at high temperatures. Spectral partitioning provides a systematic solution for this fundamental problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

An effective approach for the minimization of errors in capacitance-voltage carrier profiling of quantum structures

Experimental capacitance–voltage (C-V) profiling of semiconductor heterojunctions and quantum wells has remained ever important and relevant. The apparent carrier distributions (ACDs) thus obtained reveal the carrier depletions, carrier peaks and their positions, in and around the quantum structures. Inevitable errors, encountered in such measurements, are the deviations of the peak concentrations of the ACDs and their positions, from the actual carrier peaks obtained from quantum mechanical computations with the fundamental parameters. In spite of the very wide use of the C-V method, comprehensive discussions on the qualitative and quantitative nature of the errors remain wanting. The errors are dependent on the fundamental parameters, the temperature of measurements, the Debye length, and the series resistance. In this paper, the errors have been studied with doping concentration, band offset, and temperature. From this study, a rough estimate may be drawn about the error. It is seen that the error in the position of the ACD peak decreases at higher doping, higher band offset, and lower temperature, whereas the error in the peak concentration changes in a strange fashion. A completely new method is introduced, for derivation of the carrier profiles from C-V measurements on quantum structures to minimize errors which are inevitable in the conventional formulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Structural complexity of snapshots of two-dimensional Fermi-Hubbard systems

The development of quantum gas microscopy for two-dimensional optical lattices has provided an unparalleled tool to study the Fermi-Hubbard model (FHM) with ultracold atoms. Spin-resolved projective measurements, or snapshots, have played a significant role in quantifying correlation functions, theory verification, and thus the uncovering of underlying physical phenomena such as antiferromagnetism at commensurate filling on bipartite lattices and other charge and spin correlations, as well as dynamical properties at various densities. Here we employ a recent concept, the multiscale structural complexity, and show that when computed for the snapshots (of single spin species, local moments, or total density) it can provide a theory-free property, immediately accessible to experiments. Specifically, after benchmarking results for Ising and $XY$ models, we study the structural complexity of snapshots of the repulsive FHM in the two-dimensional square lattice as a function of doping and temperature. We generate projective measurements using determinant quantum Monte Carlo and compare their complexities against those from the experiment. We demonstrate that these complexities are linked to relevant physical observables such as the entropy and double occupancy. Their behaviors capture the development of correlations and relevant length scales in the system. Furthermore, we provide an open-source code in python which can be implemented into data analysis routines in experimental settings for the square lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Resolution of 100 photons and quantum generation of unbiased random numbers

Macroscopic quantum phenomena, such as observed in superfluids and superconductors, have led to promising technological advancements and some of the most important tests of fundamental physics. At present, quantum detection of light is mostly relegated to the microscale, where avalanche photodiodes are very sensitive to distinguishing single-photon events from vacuum but cannot differentiate between larger photon-number events. Beyond this, the ability to perform measurements to resolve photon numbers is highly desirable for a variety of quantum information applications including computation, sensing, and cryptography. True photon-number resolving detectors do exist, but they are currently limited to the ability to resolve on the order of 10 photons, which is too small for certain proposals. In this work, we extend photon measurement into the mesoscopic regime by implementing a detection scheme based on multiplexing highly quantum-efficient transition-edge sensors to accurately resolve photon numbers between zero and 100. Further, we then demonstrate the use of our system by implementing a quantum random number generator with no inherent bias. This method is based on sampling a coherent state in the photon-number basis and is robust against environmental noise, phase and amplitude fluctuations in the laser, loss and detector inefficiency as well as eavesdropping. Beyond true random number generation, our detection scheme serves as a means to implement quantum measurement and engineering techniques valuable for photonic quantum information processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

High-throughput search for magnetic topological materials using spin-orbit spillage, machine learning, and experiments

Magnetic topological insulators and semi-metals have a variety of properties that make them attractive for applications including spintronics and quantum computation. Here, we use systematic high-throughput density functional theory calculations to identify magnetic topological materials from the ≈ 40000 three-dimensional materials in the JARVIS-DFT database. First, we screen materials with net magnetic moment > 0.5 μB and spin-orbit spillage > 0.25, resulting in 25 insulating and 564 metallic candidates. The spillage acts as a signature of spin-orbit induced band-inversion. Then, we carry out calculations of Wannier charge centers, Chern numbers, anomalous Hall conductivities, surface bandstructures, and Fermi-surfaces to determine interesting topological characteristics of the screened compounds. We also train machine learning models for predicting the spillage, bandgaps, and magnetic moments of new compounds, to further accelerate the screening process. We experimentally synthesize and characterize a few candidate materials to support our theoretical predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Half-filled Landau levels: A continuum and sign-free regularization for three-dimensional quantum critical points

In this paper, we explore a method for regulating 2+1D quantum critical points in which the ultraviolet cutoff is provided by the finite density of states of particles in a magnetic field rather than by a lattice. Such Landau-level quantization allows for numerical computations on arbitrary manifolds, like spheres, without introducing lattice defects. In particular, when half-filling a Landau level with $N = 4$ electron flavors, with appropriate interaction anisotropies in flavor space, we obtain a fully continuum regularization of the $\mathrm{O}(5)$ nonlinear sigma model with a topological term, which has been conjectured to flow to a deconfined quantum critical point. We demonstrate that this model can be solved by both infinite density-matrix renormalization group (DMRG) calculations and sign-free determinantal quantum Monte Carlo. DMRG calculations estimate the scaling dimension of the $\mathrm{O}(5)$ vector operator to be in the range $\mathrm{Δ_V}$ ~ $0.55-0.7$, depending on the stiffness of the nonlinear sigma model. Future Monte Carlo simulations will be required to determine whether this dependence is a finite-size effect or further evidence for a weak first-order transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

RKKY coupled local-moment magnetism in NaFe 1 – x Cu x As

A central question in a large class of strongly correlated electron systems, including heavy fermion compounds and iron pnictides, is the identification of different phases and their origins. It has been shown that the antiferromagnetic (AFM) phase in some heavy fermion compounds is induced by Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between localized moments, and that the competition between this interaction and Kondo effect is responsible for quantum criticality. However, conclusive experimental evidence of the RKKY interaction in pnictides is lacking. Here, using high resolution 23 Na NMR measurements on lightly Cu-doped metallic single crystals of NaFe 1–x Cu x As (x ≈ 0.01) and numerical simulation, we show direct evidence of the RKKY interaction in this pnictide system. Aided by computer simulation, we identify the 23 Na NMR satellite resonances with the RKKY oscillations of spin polarization at Fe sites. Our 23 Na spin-lattice and spin-spin relaxation data exhibit a signature of an itinerant and inhomogeneous AFM phase in this system, accompanied by a simulation of Cu-induced perturbation to the ordered moments on the Fe sites. Our NMR results indicate coexistence of local and itinerant magnetism in lightly Cu-doped NaFe 1–x Cux As.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

In pursuit of an accurate spatial and temporal model of biomolecules at the atomistic level: a perspective on computer simulation

The current computational techniques available for biomolecular simulation are described, and the successes and limitations of each with reference to the experimental biophysical methods that they complement are presented. Despite huge advances in the computational techniques available for simulating biomolecules at the quantum-mechanical, atomistic and coarse-grained levels, there is still a widespread perception amongst the experimental community that these calculations are highly specialist and are not generally applicable by researchers outside the theoretical community. In this article, the successes and limitations of biomolecular simulation and the further developments that are likely in the near future are discussed. A brief overview is also provided of the experimental biophysical methods that are commonly used to probe biomolecular structure and dynamics, and the accuracy of the information that can be obtained from each is compared with that from modelling. It is concluded that progress towards an accurate spatial and temporal model of biomacromolecules requires a combination of all of these biophysical techniques, both experimental and computational.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Hamming distance and the onset of quantum criticality

Simulating models for quantum correlated matter unveils the inherent limitations of deterministic classical computations. In particular, in the case of quantum Monte Carlo methods, this is manifested by the emergence of negative weight configurations in the sampling, that is, the sign problem (SP). There have been several recent calculations which exploit the SP to locate underlying critical behavior. Here, utilizing a metric that quantifies phase-space ergodicity in such sampling, the Hamming distance, we suggest a significant advance on these ideas to extract the location of quantum critical points in various fermionic models, in spite of the presence of a severe SP. Combined with other methods, exact diagonalization in our case, it elucidates both the nature of the different phases as well as their location, as we demonstrate explicitly for the honeycomb and triangular Hubbard models, in both their U(1) and SU(2) forms. Furthermore, our approach exemplifies a possible path allowing the exploration of the phase diagram of a variety of fermionic quantum models hitherto considered to be impractical via quantum Monte Carlo simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗