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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Hybrid power system control and operating strategy based on power system state vector calculation

Controlling a hybrid power system includes calculating a power system state vector based on energy demand and a stored data array including a matrix defined by a power system hardware configuration. The control further includes producing a power request based on the power system state vector, and varying a flow of energy amongst energy devices using drive linkages in the hybrid power system based on the power request. Related apparatus, control logic and controller structure is disclosed.

Guo, Fang↗
DOE OSTI2023

HQ-Sim: High-performance State Vector Simulation of Quantum Circuits on Heterogeneous HPC Systems

Quantum circuit simulations are applied in more and more circum- stances as the quantum computing community becomes broader. It helps researchers to evaluate quantum algorithms and relieve the burden of limited quantum computing resources. However, most of the state-of-the-art quantum simulators utilize either CPU or GPU to store and calculate the state vector, which results in resource starvation. Moreover, the maximum number of qubits supported by the simulator is bounded by the memory, since the memory utilization increases exponentially with the number of qubits. In this study, we leverage Heterogeneous computing to utilize both CPU and GPU to store and update state vectors. We also integrate lossy data compression to reduce memory requirements. Specifically, we develop a heterogeneous framework that has a dynamic scheduler to fully utilize the computing resources. We apply lossy compression to chunked state vector to make the maximum number of qubits higher than the regular simulators, the compression also benefits the data movement between CPU and GPU.

Zhang, Boyuan↗
DOE OSTI2019

The Ground-State Vector of the XY Heisenberg Chain and the Gauss Decomposition

We consider the XY Heisenberg spin (1/2) chain in the fermion representation. The construction of the ground-state vector is based on the group-theoretical approach. An exact expression for the ground-state vector will allow one to study the combinatorics of the correlation functions of the model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Observation of an Axial-Vector State in the Study of the Decay ψ ( 3686 ) → ϕ η η ′

Using ( 2712.4 ± 14.3 ) × 10 6 ψ ( 3686 ) events collected with the BESIII detector at BEPCII, a partial wave analysis of the decay ψ ( 3686 ) → ϕ η η ′ is performed with the covariant tensor approach. In addition to the established states h 1 ( 1900 ) and ϕ ( 2170 ) , an axial-vector state with a mass near 2.3 GeV / c 2 is observed for the first time. Its mass and width are measured to be 2316 ± 9 stat ± 3 0 syst MeV / c 2 and 89 ± 1 5 stat ± 2 6 syst MeV , respectively. The product branching fractions of B [ ψ ( 3686 ) → X ( 2300 ) η ′ ] B [ X ( 2300 ) → ϕ η ] and B [ ψ ( 3686 ) → X ( 2300 ) η ] B [ X ( 2300 ) → ϕ η ′ ] are determined to be ( 4.8 ± 1.3 stat ± 0.7 syst ) × 10 − 6 and ( 2.2 ± 0.7 stat ± 0.7 syst ) × 10 − 6 , respectively. The branching fraction B [ ψ ( 3686 ) → ϕ η η ′ ] is measured for the first time to be ( 3.14 ± 0.1 7 stat ± 0.2 4 syst ) × 10 − 5 . The first uncertainties are statistical and the second are systematic. Published by the American Physical Society 2025

Ablikim, M.↗
DOE OSTI2021

SV-Sim: Scalable PGAS-based State Vector Simulation of Quantum Circuits

High-performance quantum circuit simulation in a classic HPC is still imperative in the NISQ era. Observing that the major obstacle of scalable state-vector quantum simulation arises from the massively fine-grained irregular data-exchange with remote nodes, in this paper we present SV-Sim to apply the emerging PGAS-based communication models (i.e., direct peer access for intra-node CPUs/GPUs and SHMEM for inter-node CPU/GPU clusters) for efficient scalable quantum circuit simulation. Through an orchestrated device functional pointer design, SV-Sim is able to abstract the quantum gate sets across various heterogeneous backends, including IBM/Intel/AMD CPUs, NVIDIA /AMD GPUs, and Intel MIC, in a unified framework, but still asserting outstanding performance and tractable interface to higher-level quantum programming environments, such as IBM Qiskit, Microsoft Q\# and Google Cirq. Circumventing the disability of polymorphism in GPUs and leveraging the device-initiated one-sided communication, SV-Sim can process dynamically synthesized quantum circuit in a single GPU/CPU kernel without the need of expensive JIT or runtime branching, significantly improving the performance and simplifying the programming complexity for the emerging variational quantum algorithms. Evaluations on NVIDIA A100-DGX-1, V100-DGX-2, AMD MI100, ALCF Theta, and OLCF Summit HPCs show that SV-Sim can delivery scalable performance on various state-of-the-art HPC platforms, offering a useful tool for quantum algorithm validation and verification.

Li, Ang↗
DOE OSTI2022

QForte: An Efficient State-Vector Emulator and Quantum Algorithms Library for Molecular Electronic Structure

Here, we introduce a novel open-source software package QForte, a comprehensive development tool for new quantum simulation algorithms. QForte incorporates functionality for handling molecular Hamiltonians, fermionic encoding, ansatz construction, time evolution, and state-vector emulation, requiring only a classical electronic structure package as a dependency. QForte also contains black-box implementations of a wide variety of quantum algorithms, including variational and projective quantum eigensolvers, adaptive eigensolvers, quantum imaginary time evolution, and quantum Krylov methods. We highlight two features of QForte: (i) how the Python class structure of QForte enables the facile implementation of new algorithms, and (ii) how existing algorithms can be executed in just a few lines of code.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Efficient Hierarchical State Vector Simulation of Quantum Circuits via Acyclic Graph Partitioning

Early but promising results in quantum computing have been enabled by the concurrent development of quantum algorithms, devices, and materials. Classical simulation of quantum programs has enabled the design and analysis of algorithms and implementation strategies targeting current and anticipated quantum device architectures. In this paper, we present a graph-based approach to achieve efficient quantum circuit simulation. Our approach involves partitioning the graph representation of a given quantum circuit into sub-graphs/circuits that exhibit better data locality. Simulation of each sub-circuit is organized hierarchically, with the iterative construction and simulation of smaller state vectors, improving overall performance. Also, this partitioning reduces the number of passes through data, improving the total computation time. We present three partitioning strategies and observe that acyclic graph partitioning typically results in the best time-to-solution. In contrast, other strategies reduce the partitioning time at the expense of potentially increased simulation times. Experimental evaluation demonstrates the effectiveness of our approach.

Fang, Bo↗
DOE OSTI2019

Coherent Gamow states for the hyperbolic Pöschl–Teller potential

Highlights: •The use of Gamow states as coherent states. •The case of hyperbolic Pöschl–Teller potential. •Bosonic expansions. -- Abstract: We have defined a pair of families of coherent states using creation and annihilation operators relating the Gamow states, vector states for non-relativistic quantum resonances. We have used an explicit one dimensional model, for which these operators may be explicitly written: the one dimensional Pöschl–Teller Hamiltonian. We have shown that this model may serve as an example for the pseudo-boson formalism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Dynamic plasmonic beam shaping by vector beams with arbitrary locally linear polarization states

Vector beams, which have space-variant state of polarization (SOP) comparing with scalar beams with spatially homogeneous SOP, are used to manipulate surface plasmon polarizations (SPPs). We find that the excitation, orientation, and distribution of the focused SPPs excited in a high numerical aperture microscopic configuration highly depend on the space-variant polarization of the incident vector beam. When it comes to vector beam with axial symmetry, multi-foci of SPPs with the same size and uniform intensity can be obtained, and the number of foci is depending on the polarization order n. Those properties can be of great value in biological sensor and plasmonic tweezers applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Ground state energy and magnetization curve of a frustrated magnetic system from real-time evolution on a digital quantum processor

Models of interacting many-body quantum systems that may realize new exotic phases of matter, notably quantum spin liquids, are challenging to study using even state-of-the-art classical methods such as tensor network simulations. Quantum computing provides a promising route for overcoming these difficulties to find ground states, dynamics, and more. In this paper, we argue that recently developed hybrid quantum-classical algorithms based on real-time evolution are promising methods for solving a particularly important model in the search for spin liquids, the antiferromagnetic Heisenberg model on the two-dimensional kagome lattice. We show how to construct efficient quantum circuits to implement time evolution for the model and to evaluate key observables on the quantum computer, and we argue that the method has favorable scaling with increasing system size. We then restrict to a 12-spin star plaquette from the kagome lattice and a related 8-spin system, and we give an empirical demonstration on these small systems that the hybrid algorithms can efficiently find the ground state energy and the magnetization curve. For these demonstrations, we use four levels of approximation: exact state vectors, exact state vectors with statistical noise from sampling, noisy classical emulators, and (for the 8-spin system only) real quantum hardware, specifically the Quantinuum H1-1 processor; for the noisy simulations and hardware demonstration, we also employ error mitigation strategies based on the symmetries of the Hamiltonian. Our results strongly suggest that these hybrid algorithms present a promising direction for studying quantum spin liquids and more generally for resolving important unsolved problems in condensed matter theory and beyond.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Balancing aggregation and smoothing errors in inverse models

Inverse models use observations of a system (observation vector) to quantify the variables driving that system (state vector) by statistical optimization. When the observation vector is large, such as with satellite data, selecting a suitable dimension for the state vector is a challenge. A state vector that is too large cannot be effectively constrained by the observations, leading to smoothing error. However, reducing the dimension of the state vector leads to aggregation error as prior relationships between state vector elements are imposed rather than optimized. Here we present a method for quantifying aggregation and smoothing errors as a function of state vector dimension, so that a suitable dimension can be selected by minimizing the combined error. Reducing the state vector within the aggregation error constraints can have the added advantage of enabling analytical solution to the inverse problem with full error characterization. We compare three methods for reducing the dimension of the state vector from its native resolution: (1) merging adjacent elements (grid coarsening), (2) clustering with principal component analysis (PCA), and (3) applying a Gaussian mixture model (GMM) with Gaussian pdfs as state vector elements on which the native-resolution state vector elements are projected using radial basis functions (RBFs). The GMM method leads to somewhat lower aggregation error than the other methods, but more importantly it retains resolution of major local features in the state vector while smoothing weak and broad features.

Turner, A. J.↗
DOE OSTI2013

Light-front chiral effective field theory

We propose a general framework to calculate the nonperturbative structure of relativistic bound state systems. The state vector of the bound state is calculated in the covariant formulation of light-front dynamics. In this scheme, the state vector is defined on the light front of general position {omega} {center_dot} x = 0, where {omega} is an arbitrary light-like four-vector. This enables a strict control of any violation of rotational invariance. The state vector is then decomposed in Fock components. Our formalism is applied to the description of the nucleon properties at low energy, in chiral perturbation theory. We also show that the use of a recently proposed regularization scheme, the so-called Taylor-Lagrange regularization scheme, is very adequate in order to treat divergences in this nonperturbative framework.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Searches for exclusive Higgs and Z boson decays into a vector quarkonium state and a photon using 139 fb$^{-1}$ of ATLAS $\sqrt{s}=13$ TeV proton–proton collision data

Searches for the exclusive decays of Higgs and Z bosons into a vector quarkonium state and a photon are performed in the μ + μ - γ final state with a proton– proton collision data sample corresponding to an integrated luminosity of 139 fb -1 collected at $\sqrt{s}=13$ TeV with the ATLAS detector at the CERN Large Hadron Collider. The observed data are compatible with the expected back grounds. The 95% confidence-level upper limits on the branching fractions of the Higgs boson decays into J/ψ γ , ψ(2S) γ , and $Υ$(1S, 2S, 3S) γ are found to be 2.0 × 10 -4 , 10.5×10 -4 , and (2.5, 4.2, 3.4)×10 -4 , respectively, assuming Standard Model production of the Higgs boson. The corresponding 95% CL upper limits on the branching fractions of the Z boson decays are 1.2 × 10 -6 , 2.4 × 10 -6 , and (1.1, 1.3, 2.4) × 10 -6 . An observed 95% CL interval of (-133, 175) is obtained for the κ c /κ γ ratio of Higgs boson coupling modifiers, and a 95% CL interval of (-37, 40) is obtained for κ b /κ γ .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Quantum learning of classical stochastic processes: The completely positive realization problem

Among several tasks in Machine Learning, a specially important one is the problem of inferring the latent variables of a system and their causal relations with the observed behavior. A paradigmatic instance of this is the task of inferring the hidden Markov model underlying a given stochastic process. This is known as the positive realization problem (PRP), [L. Benvenuti and L. Farina, IEEE Trans. Autom. Control 49(5), 651–664 (2004)] and constitutes a central problem in machine learning. The PRP and its solutions have far-reaching consequences in many areas of systems and control theory, and is nowadays an important piece in the broad field of positive systems theory. We consider the scenario where the latent variables are quantum (i.e., quantum states of a finite-dimensional system) and the system dynamics is constrained only by physical transformations on the quantum system. The observable dynamics is then described by a quantum instrument, and the task is to determine which quantum instrument — if any — yields the process at hand by iterative application. We take as a starting point the theory of quasi-realizations, whence a description of the dynamics of the process is given in terms of linear maps on state vectors and probabilities are given by linear functionals on the state vectors. This description, despite its remarkable resemblance with the hidden Markov model, or the iterated quantum instrument, is however devoid of any stochastic or quantum mechanical interpretation, as said maps fail to satisfy any positivity conditions. The completely positive realization problem then consists in determining whether an equivalent quantum mechanical description of the same process exists. We generalize some key results of stochastic realization theory, and show that the problem has deep connections with operator systems theory, giving possible insight to the lifting problem in quotient operator systems. Our results have potential applications in quantum machine learning, device-independent characterization and reverse-engineering of stochastic processes and quantum processors, and more generally, of dynamical processes with quantum memory [M. Guţă, Phys. Rev. A 83(6), 062324 (2011); M. Guţă and N. Yamamoto, e-print http://arxiv.org/abs/1303.3771 (2013)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Polariton spectra under the collective coupling regime. I. Efficient simulation of linear spectra and quantum dynamics

We outline two general theoretical techniques to simulate polariton quantum dynamics and optical spectra under the collective coupling regimes described by a Holstein–Tavis–Cummings (HTC) model Hamiltonian. The first one takes advantage of sparsity of the HTC Hamiltonian, which allows one to reduce the cost of acting polariton Hamiltonian onto a state vector to the linear order of the number of states, instead of the quadratic order. The second one is applying the well-known Chebyshev series expansion approach for quantum dynamics propagation and to simulate the polariton dynamics in the HTC system; this approach allows us to use a much larger time step for propagation and only requires a few recursive operations of the polariton Hamiltonian acting on state vectors. These two theoretical approaches are general and can be applied to any trajectory-based non-adiabatic quantum dynamics methods. We apply these two techniques with our previously developed Lindblad-partially linearized density matrix approach to simulate the linear absorption spectra of the HTC model system, with both inhomogeneous site energy disorders and dipolar orientational disorders. Our numerical results agree well with the previous analytic and numerical work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗