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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Basic Energy Sciences Roundtable: Opportunities for Basic Research for Next-Generation Quantum Systems

For decades, scientists have predicted that devices based on “quantum phenomena” will be able to store and manipulate information to provide radical new approaches for computing, communication, and sensing. However, only recently have quantum phenomena been incorporated into technologies for next-generation computers, sensors, and detectors that demonstrate performance characteristics rivaling those of their conventional counterparts. These devices clearly demonstrate the enormous potential for future quantum-based technologies. The novel quantum device capabilities currently envisioned include enhanced resolution in imaging, sensors, and detectors; advanced cryptography for more secure communication; and significantly larger computational capabilities at speeds far greater than those possible in classical computing. However, realizing these advances requires a detailed understanding of how quantum systems (including quantum materials or assemblies of trapped ions and electrons) behave, accurate knowledge of how to integrate the components into complex systems, and precise control of the structures. In this context, creating and controlling quantum states within molecules and materials offer exciting scientific opportunities for fundamental research, as well as for enabling next-generation quantum-based technologies. Numerous questions remain, ranging from how quantum interactions may enable innovation through the creation of novel quantum systems, to how these new quantum technologies can advance our understanding of matter and chemistry at the most fundamental levels. To address these questions and identify priority research opportunities (PROs), the US Department of Energy (DOE) Office of Basic Energy Sciences (BES) convened a roundtable of experts in quantum materials and quantum systems encompassing the fields of physics, chemistry, materials synthesis science, device engineering, detector technology, and atomic-scale characterization techniques. This group of experimentalists and theorists met on October 30–31, 2017, to explore scientific research opportunities in this rapidly moving field, in which BES support can play a key role in advancing and utilizing quantum information science (QIS). The goals of this roundtable were to define the unique roles for BES in this active research field and to provide input on future research directions, forming the basis for a coordinated, long-term research effort that will enable major advances in quantum-based science and technology. BES is uniquely positioned to advance this field because of its long history of fundamental research support for both materials and chemical sciences, along with its construction and operation of world-class scientific user facilities. Fundamental research in this area is strongly coupled to DOE efforts in scientific computing, high-energy physics, and accelerator/detector research and related to activities in “Beyond Moore’s Law” computing, next-generation semiconductor materials, and exascale computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Non-Markovian dynamics of open quantum system with memory

Highlights: • Non-Markovian master equation for open quantum system with power-law memory is proposed. • Non-Markovian dynamics of two-level quantum system with memory is described. • Solutions of non-Markovian quantum master equations are derived. • Complete positivity and bi-positivity in non-Markovian quantum dynamics with memory are described. • Exact solution of non-Markovian equations of system with memory is proposed. In this paper, non-Markovian generalization of master equation for open quantum system is proposed. Non-Markovian dynamics of two-level quantum system with memory and interaction with environment is described. To describe this system, the Gorini–Kossakowski–Sudarshan equation for open quantum states is generalized by taking into account power-law fading memory. The non-Markovian quantum processes with power-law memory are described by using integration and differentiation of non-integer orders. Complete positivity and bi-positivity in non-Markovian quantum dynamics with memory are described. An example of two-level quantum systems with power-law memory is suggested. Exact solution of the non-Markovian master equations of two-level open quantum systems with memory is derived.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Autoregressive Neural Network for Simulating Open Quantum Systems via a Probabilistic Formulation

The theory of open quantum systems lays the foundation for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this Letter, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure, we compactly represent quantum states with autoregressive neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of string states to partially restore the symmetry of the autoregressive neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one-dimensional and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo method to sample restricted Boltzmann machines. Our Letter provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Optimized Quantum Program Execution Ordering to Mitigate Errors in Simulations of Quantum Systems

Simulating the time evolution of a physical system at quantum mechanical levels of detail - known as Hamiltonian Simulation (HS) - is an important and interesting problem across physics and chemistry. For this task, algorithms that run on quantum computers are known to be exponentially faster than classical algorithms; in fact, this application motivated Feynman to propose the construction of quantum computers. Nonetheless, there are challenges in reaching this performance potential. Prior work has focused on compiling circuits (quantum programs) for HS with the goal of maximizing either accuracy or gate cancellation. Our work proposes a compilation strategy that simultaneously advances both goals. At a high level, we use classical optimizations such as graph coloring and travelling salesperson to order the execution of quantum programs. Specifically, we group together mutually commuting terms in the Hamiltonian (a matrix characterizing the quantum mechanical system) to improve the accuracy of the simulation. We then rearrange the terms within each group to maximize gate cancellation in the final quantum circuit. Furthermore, these optimizations work together to improve HS performance and result in an average 40% reduction in circuit depth. This work advances the frontier of HS which in turn can advance physical and chemical modeling in both basic and applied sciences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Enhance coherence time in intensely driven quantum systems

Not long ago, it was shown that a discrete time crystal can be realized if a quantum system is periodically driven to a non-equilibrium state. Proof-of-concept experiments are reported by two groups using trapped ions and nitrogen-vacancy centers in diamond, respectively. The concept of discrete time crystals vividly demonstrates that the coherence time of a quantum system may be enhanced by driving the system out of equilibrium. In this project, we want to test this novel concept in another canonical quantum system, the quantum Hall system in a two-dimensional electron gas (2DEG). Compared to other systems, quantum Hall magnetism (QHM) in high quality, industry-compatible GaAs/AlGaAs heterostructures allows for detailed and quantitative studies in a particularly simple and clean environment. This detailed knowledge should help achieve longer coherence times in a driven QHM system. This report will detail the results from a recent study on the stability of the quantum Hall skyrmions (QHS) state at a Landau level filling close to ν = 1 by measuring its current-voltage (I-V) breakdown characteristics under radio-frequency (RF) radiations. We observe that the critical current increases visibly when the RF frequency is right at the Larmor frequency of 75As nuclei, where the hyperfine interaction between electron and nuclear spins perturbs the QHS state most significantly. We believe that this observation is consistent with the novel concept that the coherence time of a quantum system may be enhanced by driving the system out of equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Tomograms for open quantum systems: In(finite) dimensional optical and spin systems

Tomograms are obtained as probability distributions and are used to reconstruct a quantum state from experimentally measured values. We study the evolution of tomograms for different quantum systems, both finite and infinite dimensional. In realistic experimental conditions, quantum states are exposed to the ambient environment and hence subject to effects like decoherence and dissipation, which are dealt with here, consistently, using the formalism of open quantum systems. This is extremely relevant from the perspective of experimental implementation and issues related to state reconstruction in quantum computation and communication. These considerations are also expected to affect the quasiprobability distribution obtained from experimentally generated tomograms and nonclassicality observed from them. -- Highlights: •Tomograms are constructed for open quantum systems. •Finite and infinite dimensional quantum systems are studied. •Finite dimensional systems (phase states, single & two qubit spin states) are studied. •A dissipative harmonic oscillator is considered as an infinite dimensional system. •Both pure dephasing as well as dissipation effects are studied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Open quantum system violates generalized Pauli constraints on quantum device

Abstract The Pauli exclusion principle governs the fundamental structure and function of fermionic systems from molecules to materials. Nonetheless, when such a fermionic system is in a pure state, it is subject to additional restrictions known as the generalized Pauli constraints (GPCs). Here we verify experimentally the violation of the GPCs for an open quantum system using data from a superconducting-qubit quantum computer. We prepare states of systems with three-to-seven qubits directly on the quantum device and measure the one-fermion reduced density matrix (1-RDM) from which we can test the GPCs. We find that the GPCs of the 1-RDM are sufficiently sensitive to detect the openness of the 3-to-7 qubit systems in the presence of a single-qubit environment. Results confirm experimentally that the openness of a many-fermion quantum system can be decoded from only a knowledge of the 1-RDM with potential applications from quantum computing and sensing to noise-assisted energy transfer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Efficient Simulation of Open Quantum Systems on NISQ Trapped‐Ion Hardware

Abstract Simulating open quantum systems, which interact with external environments, presents significant challenges on noisy intermediate‐scale quantum (NISQ) devices due to limited qubit resources and noise. In this study, an efficient framework is proposed for simulating open quantum systems on NISQ hardware by leveraging a time‐perturbative Kraus operator representation of the system's dynamics. This approach avoids the computationally expensive Trotterization method and exploits the Lindblad master equation to represent time evolution in a compact form, particularly for systems satisfying specific commutation relations. The efficiency of this method is demonstrated by simulating quantum channels, such as the continuous‐time Pauli channel and damped harmonic oscillators, on NISQ trapped‐ion hardware, including IonQ Harmony and Quantinuum H1‐1. Additionally, hardware‐agnostic error mitigation techniques are introduced, including Pauli channel fitting and quantum depolarizing channel inversion, to enhance the fidelity of quantum simulations. These results show strong agreement between the simulations on real quantum hardware and exact solutions, highlighting the potential of Kraus‐based methods for scalable and accurate simulation of open quantum systems on NISQ devices. This framework opens pathways for simulating more complex systems under realistic conditions in the near term.

Burdine, Colin [Department of Electrical and Compu↗
DOE OSTI2019

Topological classification of quasiperiodically driven quantum systems

Few-level quantum systems driven by n f incommensurate fundamental frequencies exhibit temporal analogs of noninteracting phenomena in n f spatial dimensions, a consequence of the generalization of Floquet theory in frequency space. In this work, we organize the fundamental solutions of the frequency lattice model for n f = 2 into a quasienergy band structure and show that every band is classified by an integer Chern number. In the trivial class, all bands have zero Chern number and the quasiperiodic dynamics is qualitatively similar to Floquet dynamics. The topological class with nonzero Chern bands has dramatic dynamical signatures, including the pumping of energy from one drive to the other, chaotic sensitivity to initial conditions, and aperiodic time dynamics of expectation values. The topological class is however unstable to generic perturbations due to exact level crossings in the quasienergy spectrum. Nevertheless, using the case study of a spin in a quasiperiodically varying magnetic field, we show that topological class can be realized at low frequencies as a prethermal phase, and at finite frequencies using counterdiabatic tools.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Decoherence and dissipation for a quantum system coupled to a local environment

Decoherence and dissipation in quantum systems has been studied extensively in the context of Quantum Brownian Motion. Effective decoherence in coarse grained quantum systems has been a central issue in recent efforts by Zurek and by Hartle and Gell-Mann to address the Quantum Measurement Problem. Although these models can yield very general classical phenomenology, they are incapable of reproducing relevant characteristics expected of a local environment on a quantum system, such as the characteristic dependence of decoherence on environment spatial correlations. I discuss the characteristics of Quantum Brownian Motion in a local environment by examining aspects of first principle calculations and by the construction of phenomenological models. Effective quantum Langevin equations and master equations are presented in a variety of representations. Comparisons are made with standard results such as the Caldeira-Leggett master equation.

Gallis, Michael R.↗
DOE OSTI2016

Turnpike solutions of control problems in quantum systems

The model of a quantum system of interacting spins based on the Shrödinger equation with unbounded linear control is transformed to an equivalent derived system (known from the degenerate problems theory). It consists of a regular differential system with new control and description of impulse control modes. This reveals the general turnpike structure of control processes and allows to propose some effective algorithms of their investigation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Revealing electronic open quantum systems with subsystem TDDFT

Open quantum systems (OQSs) are perhaps the most realistic systems one can approach through simulations. In recent years, describing OQSs with Density Functional Theory (DFT) has been a prominent avenue of research with most approaches based on a density matrix partitioning in conjunction with an ad-hoc description of system-bath interactions. We propose a different theoretical approach to OQSs based on partitioning of the electron density. Employing the machinery of subsystem DFT (and its time-dependent extension), we provide a novel way of isolating and analyzing the various terms contributing to the coupling between the system and the surrounding bath. To illustrate the theory, we provide numerical simulations on a toy system (a molecular dimer) and on a condensed phase system (solvated excimer). The simulations show that non-Markovian dynamics in the electronic system-bath interactions are important in chemical applications. For instance, we show that the superexchange mechanism of transport in donor-bridge-acceptor systems is a non-Markovian interaction between the donor-acceptor (OQS) with the bridge (bath) which is fully characterized by real-time subsystem time-dependent DFT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Lieb–Schultz–Mattis Theorem with a Local Twist for General One-Dimensional Quantum Systems

We formulate and prove the local twist version of the Yamanaka–Oshikawa–Affleck theorem, an extension of the Lieb–Schultz–Mattis theorem, for one-dimensional systems of quantum particles or spins. We can treat almost any translationally invariant system with global U(1) symmetry. Time-reversal or inversion symmetry is not assumed. It is proved that, when the “filling factor” is not an integer, a ground state without any long-range order must be accompanied by low-lying excitations whose number grows indefinitely as the system size is increased. The result is closely related to the absence of topological order in one-dimension. The present paper is written in a self-contained manner, and does not require any knowledge of the Lieb–Schultz–Mattis and related theorems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Fidelity Comparison of Time-Bin and Fock State Encoding in Hybrid Quantum Systems Under Channel and Transduction Effects

Future quantum networks are expected to integrate a heterogeneous combination of quantum systems, owing to the diverse advantages offered by different physical platforms in terms of scalability, coherence times, and interfacing capabilities. Within the context of this emerging quantum communication paradigm, this paper presents an analytical comparison of two photonic encoding schemes—time-bin and Fock state (single rail)—in hybrid quantum systems where flying qubits are entangled with stationary matter qubits. We evaluate their resilience against fiber channel and quantum transduction effects by calculating the fidelity of the final states relative to their ideal forms. Employing the characteristic function approach, we derive analytical fidelity expressions and investigate their dependence on parameters such as transmissivity, noise levels, fiber length, and source generation success probability. Additionally, we simulate the scenario with a dedicated QuTiP software implementation to verify the validity of the theoretical models. Our findings reveal that due to its inherent single-mode structure, the Fock state encoding consistently outperforms time-bin encoding in fidelity, as this structure significantly minimizes susceptibility to losses compared to the two-mode nature of the time-bin scheme. This analysis offers valuable insights for future hybrid quantum communication and information processing applications.

Fiorini, Francesco [Pisa U.]↗
DOE OSTI2014

Repeated interactions in open quantum systems

Analyzing the dynamics of open quantum systems has a long history in mathematics and physics. Depending on the system at hand, basic physical phenomena that one would like to explain are, for example, convergence to equilibrium, the dynamics of quantum coherences (decoherence) and quantum correlations (entanglement), or the emergence of heat and particle fluxes in non-equilibrium situations. From the mathematical physics perspective, one of the main challenges is to derive the irreversible dynamics of the open system, starting from a unitary dynamics of the system and its environment. The repeated interactions systems considered in these notes are models of non-equilibrium quantum statistical mechanics. They are relevant in quantum optics, and more generally, serve as a relatively well treatable approximation of a more difficult quantum dynamics. In particular, the repeated interaction models allow to determine the large time (stationary) asymptotics of quantum systems out of equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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↗