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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Systematic electronic structure in the cuprate parent state from quantum many-body simulations

The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective low-energy models and apply it to gain a detailed microscopic understanding across a family of cuprate superconducting materials in their parent undoped states. We uncover microscopic trends in the electron correlations and reveal the link between the material composition and magnetic energy scales through a many-body picture of excitation processes involving the buffer layers. Our work illustrates a path toward a quantitative and reliable understanding of more complex states of correlated materials at the ab initio many-body level.

Science & Technology - Other Topics↗
DOE OSTI2023

Operator Growth in Open Quantum Systems

The spreading of quantum information in closed systems, often termed scrambling, is a hallmark of many-body quantum dynamics. In open systems, scrambling competes with noise, errors, and decoherence. Here, in this work, we provide a universal framework that describes the scrambling of quantum information in open systems: we predict that the effect of open-system dynamics is fundamentally controlled by operator size distributions and independent of the microscopic error mechanism. This framework allows us to demonstrate that open quantum systems exhibit universal classes of information dynamics that fundamentally differ from their unitary counterparts. Implications for the Loschmidt echo, nuclear magnetic resonance experiments, and the classical simulability of open quantum dynamics will be discussed.

Physics↗
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 OSTI2023

Onset of Scrambling as a Dynamical Transition in Tunable-Range Quantum Circuits

In a fast-scrambling many-body quantum system, information is spread and entanglement is built up on a time scale that grows logarithmically with the system size. This is of fundamental interest in understanding the dynamics of many-body systems, as well as in efficiently producing entangled resource states and error-correcting codes. In this work, we identify a dynamical transition marking the onset of scrambling in quantum circuits with different levels of long-range connectivity. In particular, we show that as a function of the interaction range for circuits of different structures, the tripartite mutual information exhibits a scaling collapse around a critical point between two clearly defined regimes of different dynamical behavior. We study this transition analytically in a related long-range Brownian-circuit model and show how the transition can be mapped onto the statistical mechanics of a long-range Ising model in a particular region of parameter space. This mapping predicts mean-field critical exponents v=–1/(1 + s c ), which are consistent with the critical exponents extracted from Clifford-circuit numerics. In addition to systems with conventional power-law interactions, we identify the same phenomenon in deterministic sparse circuits that can be realized in experiments with neutral-atom arrays.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Approximate CFTs and random tensor models

Abstract A key issue in both the field of quantum chaos and quantum gravity is an effective description of chaotic conformal field theories (CFTs), that is CFTs that have a quantum ergodic limit. We develop a framework incorporating the constraints of conformal symmetry and locality, allowing the definition of ensembles of ‘CFT data’. These ensembles take on the same role as the ensembles of random Hamiltonians in more conventional quantum ergodic phases of many-body quantum systems. To describe individual members of the ensembles, we introduce the notion of approximate CFT, defined as a collection of ‘CFT data’ satisfying the usual CFT constraints approximately, i.e. up to small deviations. We show that they generically exist by providing concrete examples. Ensembles of approximate CFTs are very natural in holography, as every member of the ensemble is indistinguishable from a true CFT for low-energy probes that only have access to information from semi-classical gravity. To specify these ensembles, we impose successively higher moments of the CFT constraints. Lastly, we propose a theory of pure gravity in AdS 3 as a random matrix/tensor model implementing approximate CFT constraints. This tensor model is the maximum ignorance ensemble compatible with conformal symmetry, crossing invariance, and a primary gap to the black-hole threshold. The resulting theory is a random matrix/tensor model governed by the Virasoro 6j-symbol.

Physics↗
DOE OSTI2024

Robust finite-temperature many-body scarring on a quantum computer

Mechanisms for suppressing thermalization in disorder-free many-body systems, such as Hilbert space fragmentation and quantum many-body scars, have recently attracted much interest in foundations of quantum statistical physics and potential quantum information processing applications. However, their sensitivity to realistic effects such as finite temperature remains largely unexplored. Here, we have utilized IBM's Kolkata quantum processor to demonstrate an unexpected robustness of quantum many-body scars at finite temperatures when the system is prepared in a thermal Gibbs ensemble. We identify such robustness in the PXP model, which describes quantum many-body scars in experimental systems of Rydberg atom arrays and ultracold atoms in tilted Bose-Hubbard optical lattices. By contrast, other theoretical models which host exact quantum many-body scars are found to lack such robustness and their scarring properties quickly decay with temperature. Our study sheds light on the important differences between scarred models in terms of their algebraic structures, which impacts their resilience to finite temperature. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Quantum simulation of bosons with the contracted quantum eigensolver

Abstract Quantum computers are promising tools for simulating many-body quantum systems due to their potential scaling advantage over classical computers. While significant effort has been expended on many-fermion systems, here we simulate a model entangled many-boson system with the contracted quantum eigensolver (CQE). We generalize the CQE to many-boson systems by encoding the bosonic wavefunction on qubits. The CQE provides a compact ansatz for the bosonic wave function whose gradient is proportional to the residual of a contracted Schrödinger equation. We apply the CQE to a bosonic system, where N quantum harmonic oscillators are coupled through a pairwise quadratic repulsion. The model is relevant to the study of coupled vibrations in molecular systems on quantum devices. Results demonstrate the potential efficiency of the CQE in simulating bosonic processes such as molecular vibrations with good accuracy and convergence even in the presence of noise.

Physics↗
DOE OSTI2025

Toward scalable bound-to-resonance extrapolations for few- and many-body systems

In open quantum many-body systems, the theoretical description of resonant states of many particles strongly coupled to the continuum can be challenging. Such states are commonplace in, for example, exotic nuclei and hadrons, and can reveal important information about the underlying forces at play in these systems. In this work, we demonstrate that the complex-augmented eigenvector continuation (CA-EC) method, originally formulated for the two-body problem with uniform complex scaling, can reliably perform bound-to-resonance extrapolations for genuine three-body resonances having no bound subsystems. Here, we first establish that three-body bound-to-resonance extrapolations are possible by benchmarking different few-body approaches, and we provide arguments to explain how the extrapolation works in the many-body case. We furthermore pave the way towards scalable resonance extrapolations in many-body systems by showing that the CA-EC method also works in the Berggren basis, studying a realistic application using the Gamow shell model.

Ab initio calculations↗
DOE OSTI2021

Attention-based quantum tomography

Abstract With rapid progress across platforms for quantum systems, the problem of many-body quantum state reconstruction for noisy quantum states becomes an important challenge. There has been a growing interest in approaching the problem of quantum state reconstruction using generative neural network models. Here we propose the ‘attention-based quantum tomography’ (AQT), a quantum state reconstruction using an attention mechanism-based generative network that learns the mixed state density matrix of a noisy quantum state. AQT is based on the model proposed in ‘Attention is all you need’ by Vaswani et al (2017 NIPS ) that is designed to learn long-range correlations in natural language sentences and thereby outperform previous natural language processing (NLP) models. We demonstrate not only that AQT outperforms earlier neural-network-based quantum state reconstruction on identical tasks but that AQT can accurately reconstruct the density matrix associated with a noisy quantum state experimentally realized in an IBMQ quantum computer. We speculate the success of the AQT stems from its ability to model quantum entanglement across the entire quantum system much as the attention model for NLP captures the correlations among words in a sentence.

97 MATHEMATICS AND COMPUTING↗