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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Bottomonium suppression in 5.02 and 8.16 TeV 𝑝-Pb collisions

Here, we compute the suppression of ϒ⁡(1⁢𝑆), ϒ⁡(2⁢𝑆), and ϒ⁡(3⁢𝑆) states in 𝑝-Pb collisions relative to 𝑝⁢𝑝 collisions, including nuclear parton distribution function (nPDF) effects, coherent energy loss, momentum broadening, and final-state interactions in the quark-gluon plasma. We employ the EPPS21 nPDFs and calculate the uncertainty resulting from variation over the associated error sets. To compute coherent energy loss and momentum broadening, we follow the approach of Arleo, Peigne, and collaborators. The 3+1⁢D viscous hydrodynamical background evolution of the quark-gluon plasma is generated by anisotropic hydrodynamics. The in-medium suppression of bottomonium in the quark-gluon plasma is computed using a next-to-leading-order open quantum system framework formulated within potential nonrelativistic quantum chromodynamics. We find that inclusion of all these effects provides a reasonable description of experimental data from the ALICE, ATLAS, CMS, and LHCb Collaborations for the suppression of ϒ⁡(1⁢𝑆), ϒ⁡(2⁢𝑆), and ϒ⁡(3⁢𝑆) as a function of both transverse momentum and rapidity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Nexus: a modular workflow management system for quantum simulation codes

The management of simulation workflows is a significant task for the individual computational researcher. Automation of the required tasks involved in simulation work can decrease the overall time to solution and reduce sources of human error. A new simulation workflow management system, Nexus, is presented to address these issues. Nexus is capable of automated job management on workstations and resources at several major supercomputing centers. Its modular design allows many quantum simulation codes to be supported within the same framework. Current support includes quantum Monte Carlo calculations with QMCPACK, density functional theory calculations with Quantum Espresso or VASP, and quantum chemical calculations with GAMESS. Users can compose workflows through a transparent, text-based interface, resembling the input file of a typical simulation code. A usage example is provided to illustrate the process.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2006

Using Quasiparticle Poisoning To Detect Photons

According to a proposal, a phenomenon associated with excitation of quasiparticles in certain superconducting quantum devices would be exploited as a means of detecting photons with exquisite sensitivity. The phenomenon could also be exploited to perform medium-resolution spectroscopy. The proposal was inspired by the observation that Coulomb blockade devices upon which some quantum logic gates are based are extremely sensitive to quasiparticles excited above the superconducting gaps in their leads. The presence of quasiparticles in the leads can be easily detected via the charge states. If quasiparticles could be generated in the leads by absorption of photons, then the devices could be used as very sensitive detectors of electromagnetic radiation over the spectral range from x-rays to submillimeter waves. The devices in question are single-Cooper-pair boxes (SCBs), which are mesoscopic superconducting devices developed for quantum computing. An SCB consists of a small superconducting island connected to a reservoir via a small tunnel junction and connected to a voltage source through a gate capacitor. An SCB is an artificial two-level quantum system, the Hamiltonian of which can be controlled by the gate voltage. One measures the expected value of the charge of the eigenvectors of this quantum system by use of a radio-frequency single-electron transistor. A plot of this expected value of charge as a function of gate voltage resembles a staircase that, in the ideal case, consists of steps of height 2 e (where e is the charge of one electron). Experiments have shown that depending on the parameters of the device, quasiparticles in the form of "broken" Cooper pairs present in the reservoir can tunnel to the island, giving rise to steps of 1 e. This effect is sometimes called "poisoning." Simulations have shown that an extremely small average number of quasiparticles can generate a 1-e periodic signal. In a device according to the proposal, this poisoning would be turned to advantage. Depending on the wavelength, an antenna or other component would be used to couple radiation into the reservoir, wherein the absorption of photons would break Cooper pairs, thereby creating quasiparticles that, in turn, would tunnel to the island, creating a 1-e signal. On the basis of conservative estimates of device parameters derived from experimental data and computational simulations that fit the data, it has been estimated that the noise equivalent power of a device according to the proposal could be as low as 6 10(exp -22) W/Hz(exp 1/2). It has also been estimated that the spectroscopic resolution (photon energy divided by increment of photon energy) of such a device in visible light would exceed 100.

Echternach, Pierre↗
DOE OSTI2016

Controlling spin relaxation with a cavity

Spontaneous emission of radiation is one of the fundamental mechanisms by which an excited quantum system returns to equilibrium. For spins, however, spontaneous emission is generally negligible compared to other non-radiative relaxation processes because of the weak coupling between the magnetic dipole and the electromagnetic field. In 1946, Purcell realized that the rate of spontaneous emission can be greatly enhanced by placing the quantum system in a resonant cavity. This effect has since been used extensively to control the lifetime of atoms and semiconducting heterostructures coupled to microwave or optical cavities, and is essential for the realization of high-efficiency single-photon sources. In this paper, we report the application of this idea to spins in solids. By coupling donor spins in silicon to a superconducting microwave cavity with a high quality factor and a small mode volume, we reach the regime in which spontaneous emission constitutes the dominant mechanism of spin relaxation. The relaxation rate is increased by three orders of magnitude as the spins are tuned to the cavity resonance, demonstrating that energy relaxation can be controlled on demand. Our results provide a general way to initialize spin systems into their ground state and therefore have applications in magnetic resonance and quantum information processing. Finally, they also demonstrate that the coupling between the magnetic dipole of a spin and the electromagnetic field can be enhanced up to the point at which quantum fluctuations have a marked effect on the spin dynamics; as such, they represent an important step towards the coherent magnetic coupling of individual spins to microwave photons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Lower bounds to the spectral gap of Davies generators

We construct lower bounds to the spectral gap of a family of Lindblad generators known as Davies maps. These maps describe the thermalization of quantum systems weakly coupled to a heat bath. The steady state of these systems is given by the Gibbs distribution with respect to the system Hamiltonian. The bounds can be evaluated explicitly, when the eigenbasis and the spectrum of the Hamiltonian is known. A crucial assumption is that the spectrum of the Hamiltonian is non-degenerate. Furthermore, we provide a counterexample to the conjecture, that the convergence rate is always determined by the gap of the associated Pauli master equation. We conclude that the full dynamics of the Lindblad generator has to be considered. Finally, we present several physical example systems for which the bound to the spectral gap is evaluated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Negative differential gain in quantum dot systems: Interplay of structural properties and many-body effects

The saturation behaviour of optical gain with increasing excitation density is an important factor for laser device performance. For active materials based on self-organized InGaAs/GaAs quantum dots, we study the interplay between structural properties of the quantum dots and many-body effects of excited carriers in the optical properties via a combination of tight-binding and quantum-kinetic calculations. We identify regimes where either phase-space filling or excitation-induced dephasing dominates the saturation behavior of the optical gain. The latter can lead to the emergence of a negative differential material gain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

On the alternatives for bath correlators and spectral densities from mixed quantum-classical simulations

We investigate on the procedure of extracting a 'spectral density' from mixed QM/MM calculations and employing it in open quantum systems models. In particular, we study the connection between the energy gap correlation function extracted from ground state QM/MM and the bath spectral density used as input in open quantum system approaches. We introduce a simple model which can give intuition on when the ground state QM/MM propagation will give the correct energy gap. We also discuss the role of higher order correlators of the energy-gap fluctuations which can provide useful information on the bath. Further, various semiclassical corrections to the spectral density, are applied and investigated. Finally, we apply our considerations to the photosynthetic Fenna-Matthews-Olson complex. For this system, our results suggest the use of the Harmonic prefactor for the spectral density rather than the Standard one, which was employed in the simulations of the system carried out to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Light–matter interaction of a molecule in a dissipative cavity from first principles

Cavity-mediated light–matter coupling can dramatically alter opto-electronic and physico-chemical properties of a molecule. Ab initio theoretical predictions of these systems need to combine non-perturbative, many-body electronic structure theory-based methods with cavity quantum electrodynamics and theories of open-quantum systems. Here, we generalize quantum-electrodynamical density functional theory to account for dissipative dynamics of the cavity and describe coupled cavity–single molecule interactions in the weak-to-strong-coupling regimes. Specifically, to establish this generalized technique, we study excited-state dynamics and spectral responses of benzene and toluene under weak-to-strong light–matter coupling. By tuning the coupling, we achieve cavity-mediated energy transfer between electronically excited states. This generalized ab initio quantum-electrodynamical density functional theory treatment can be naturally extended to describe cavity-mediated interactions in arbitrary electromagnetic environments, accessing correlated light–matter observables and thereby closing the gap between electronic structure theory, quantum optics, and nanophotonics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Qubit-efficient entanglement spectroscopy using qubit resets

One strategy to fit larger problems on NISQ devices is to exploit a tradeoff between circuit width and circuit depth. Unfortunately, this tradeoff still limits the size of tractable problems since the increased depth is often not realizable before noise dominates. Here, we develop qubit-efficient quantum algorithms for entanglement spectroscopy which avoid this tradeoff. In particular, we develop algorithms for computing the trace of the n -th power of the density operator of a quantum system, T r ( ρ n ) , (related to the Rényi entropy of order n ) that use fewer qubits than any previous efficient algorithm while achieving similar performance in the presence of noise, thus enabling spectroscopy of larger quantum systems on NISQ devices. Our algorithms, which require a number of qubits independent of n , are variants of previous algorithms with width proportional to n , an asymptotic difference. The crucial ingredient in these new algorithms is the ability to measure and reinitialize subsets of qubits in the course of the computation, allowing us to reuse qubits and increase the circuit depth without suffering the usual noisy consequences. We also introduce the notion of effective circuit depth as a generalization of standard circuit depth suitable for circuits with qubit resets. This tool helps explain the noise-resilience of our qubit-efficient algorithms and should aid in designing future algorithms. We perform numerical simulations to compare our algorithms to the original variants and show they perform similarly when subjected to noise. Additionally, we experimentally implement one of our qubit-efficient algorithms on the Honeywell System Model H0, estimating T r ( ρ n ) for larger n than possible with previous algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Efficient Hamiltonian encoding algorithms for extracting quantum control mechanism as interfering pathway amplitudes in the Dyson series

Hamiltonian encoding is a methodology for revealing the mechanism behind the dynamics governing controlled quantum systems. In this paper, following Mitra and Rabitz \cite{abhra_1}, we define mechanism via pathways of eigenstates that describe the evolution of the system, where each pathway is associated with a complex-valued amplitude corresponding to a term in the Dyson series. The evolution of the system is determined by the constructive and destructive interference of these pathway amplitudes. Pathways with similar attributes can be grouped together into pathway classes. The amplitudes of pathway classes are computed by modulating the Hamiltonian matrix elements and decoding the subsequent evolution of the system rather than by direct computation of the individual terms in the Dyson series. The original implementation of Hamiltonian encoding was computationally intensive and became prohibitively expensive in large quantum systems. This paper presents two new encoding algorithms that calculate the amplitudes of pathway classes by using techniques from graph theory and algebraic topology to exploit patterns in the set of allowed transitions, greatly reducing the number of matrix elements that need to be modulated. These new algorithms provide an exponential decrease in both computation time and memory utilization with respect to the Hilbert space dimension of the system. To demonstrate the use of these techniques, they are applied to two illustrative state-to-state transition problems.

Abrams, Erez [Princeton University, Massachusetts ↗
DOE OSTI2025

Experimental Realization of Discrete Time Quasicrystals

Floquet (periodically driven) systems can give rise to unique nonequilibrium phases of matter without equilibrium analogs. The most prominent example is the realization of discrete time crystals. An intriguing question emerges: What other novel phases can manifest when the constraint of time periodicity is relaxed? In this study, we explore quantum systems subjected to a quasiperiodic drive. Leveraging a strongly interacting spin ensemble in diamond, we identify the emergence of long-lived discrete time quasicrystals. Unlike conventional time crystals, time quasicrystals exhibit robust subharmonic responses at multiple incommensurate frequencies. Furthermore, we show that the multifrequency nature of the quasiperiodic drive allows for the formation of diverse patterns associated with different discrete time quasicrystalline phases. Our findings demonstrate the existence of nonequilibrium phases in quasi-Floquet settings, significantly broadening the catalog of novel phenomena in driven many-body quantum systems.

Exotic phases of matter↗
DOE OSTI2022

Exceptional Points in Novel Multiscale Quantum-Nanoplasmonic Materials for Enhanced Sensing and Other Applications

Lossy quantum systems can display fascinating behaviors around singularities known as exceptional points in their complex eigenvalue spaces. Interest in these systems was ignited over two decades ago when Carl Bender and Stefan Boettcher—a LANL Director’s Postdoctoral Fellow at the time—pointed out that many features of conventional lossless quantum systems, such as real operator eigenvalues, could be recovered in lossy systems exhibiting parity- and time-reversal (ΡΤ) symmetry.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantum simulation of Lindbladian dynamics via repeated interactions

The Lindblad equation generalizes the Schrödinger equation to quantum systems that undergo dissipative dynamics. The quantum simulation of Lindbladian dynamics is therefore non-unitary, preventing a naive application of state-of-the-art quantum algorithms. Here, we make use of an approximate correspondence between Lindbladian dynamics and evolution based on repeated interaction (RI) CPTP maps to write down a Hamiltonian formulation of the Lindblad dynamics and derive a rigorous error bound on the master equation. Specifically, we show that the number of interactions needed to simulate the Liouvillian within error e scales in most physical scenarios as . This is significant because the error in the Lindbladian approximation to the dynamics is not explicitly bounded in existing quantum algorithms for open system simulations. We then provide quantum algorithms to simulate RI maps using an iterative qubitization approach and Trotter–Suzuki formulas, and specifically show that for iterative qubitization the number of operations needed to simulate the dynamics (for a fixed value of ?) scales as in the limit where a0 (the coefficient 1-norm for the system and bath Hamiltonians) asymptotically dominates over the corresponding factor for the interaction Hamiltonian, which is often the case in weak coupling. This scaling would appear to be optimal if the complexity of ? is not considered, which underscores the importance of considering the error in the Liouvillian that we reveal in this work.

Quantum Computing↗
DOE OSTI2019

Probing the State of a Mechanical Oscillator with an Ultrastrongly Coupled Quantum Emitter

Performing accurate position measurements of a mechanical resonator by coupling it to some optically driven quantum emitter is an important challenge for quantum sensing and metrology. We fully characterize the quantum noise associated with this measurement process, by deriving master equations for the coupled emitter and the resonator valid in the ultrastrong coupling regime. At short timescales, we show that this noise sets a fundamental limit to the readout sensitivity and that the standard quantum limit can be recovered for realistic experimental conditions. At long timescales, the scattering of the mechanical quadratures leads to the decoupling of the emitter from the driving light, switching off the noise source. Furthermore, this method can be used to describe the interaction of any quantum system strongly coupled to a finite size reservoir.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Interplay of quantum information, thermodynamics, and gravity in the early Universe

Our interdisciplinary proposal brought together a unique team of researchers to tackle foundational questions on the quantum origins of the Universe and out-of-equilibrium quantum systems in general. The specific goals of our proposal were as follows. First, to develop a self-consistent quantum mechanical framework for the early Universe using an open system approach, with focus on non-Markovian vs. Markovian evolution of system modes and signatures in late-time observables. Second, to explore the use of quantum resource theory and thermodynamics techniques to understand the initial conditions of the Universe. Third, to in vestigate open quantum system dynamics in strongly-coupled qubit and oscillator systems, with focus on non-Markovian evolution, entanglement dynamics, and quantum backaction, including experimental real izations and implications for gravity. And fourth, to establish thermodynamics for chaotic quantum systems, with emphasis on dynamics of information scrambling and implications for black hole solutions in AdS/CFT and quantum gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Time series, correlation matrices and random matrix models

In this set of five lectures the authors have presented techniques to analyze open classical and quantum systems using correlation matrices. For diverse reasons we shall see that random matrices play an important role to describe a null hypothesis or a minimum information hypothesis for the description of a quantum system or subsystem. In the former case various forms of correlation matrices of time series associated with the classical observables of some system. The fact that such series are necessarily finite, inevitably introduces noise and this finite time influence lead to a random or stochastic component in these time series. By consequence random correlation matrices have a random component, and corresponding ensembles are used. In the latter we use random matrices to describe high temperature environment or uncontrolled perturbations, ensembles of differing chaotic systems etc. The common theme of the lectures is thus the importance of random matrix theory in a wide range of fields in and around physics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Quantum control of surface acoustic-wave phonons

One of the hallmarks of quantum physics is the generation of non-classical quantum states and superpositions, which has been demonstrated in several quantum systems, including ions, solid-state qubits and photons. However, only indirect demonstrations of non-classical states have been achieved in mechanical systems, despite the scientific appeal and technical utility of such a capability, including in quantum sensing, computation and communication applications. This is due in part to the highly linear response of most mechanical systems, which makes quantum operations difficult, as well as their characteristically low frequencies, which hinder access to the quantum ground state. Here we demonstrate full quantum control of the mechanical state of a macroscale mechanical resonator. Furthermore, we strongly couple a surface acoustic-wave resonator to a superconducting qubit, using the qubit to control and measure quantum states in the mechanical resonator. We generate a non-classical superposition of the zero-and one-phonon Fock states and map this and other states using Wigner tomography. Such precise, programmable quantum control is essential to a range of applications of surface acoustic waves in the quantum limit, including the coupling of disparate quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The general dispersion relation of induced streaming instabilities in quantum outflow systems

In this manuscript the dispersion relations of streaming instabilities, by using the unique property (neutralized in charge and current by default) of plasma shells colliding, have been generalized and studied. This interesting property for interpenetrating beams enables one to find the general dispersion relations without any restrictions used in the previous works in this area. In our previous work [H. Mehdian et al., ApJ. 801, 89 (2015)], employing the plasma shell concept and boost frame method, the general dispersion relation for filamentation instability has been derived in the relativistic classical regime. But in this paper, using the above mentioned concepts, the general dispersion relations (for each of streaming instabilities, filamentation, two-stream and multi-stream) in the non-relativistic quantum regime have been derived by employing the quantum fluid equations together with Maxwell equations. The derived dispersion relations enable to describe any arbitrary system of interacting two and three beams, justified neutralization condition, by choosing the inertial reference frame embedded on the one of the beams. Furthermore, by the numerical and analytical study of these dispersion relations, many new features of streaming instabilities (E.g. their cut-off wave numbers and growth rates) in terms of all involved parameters have been illustrated. The obtained results in this paper can be used to describe many astrophysical systems and laboratory astrophysics setting, such as collision of non-parallel plasma shells over a background plasma or the collision of three neutralized plasma slabs, and justifying the many plasma phenomena such as particle accelerations and induced fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗