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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Nonadiabatic transition paths from quantum jump trajectories

We present a means of studying rare reactive pathways in open quantum systems using transition path theory and ensembles of quantum jump trajectories. This approach allows for the elucidation of reactive paths for dissipative, nonadiabatic dynamics when the system is embedded in a Markovian environment. Here, we detail the dominant pathways and rates of thermally activated processes and the relaxation pathways and photoyields following vertical excitation in a minimal model of a conical intersection. We find that the geometry of the conical intersection affects the electronic character of the transition state as defined through a generalization of a committor function for a thermal barrier crossing event. Similarly, the geometry changes the mechanism of relaxation following a vertical excitation. Relaxation in models resulting from small diabatic coupling proceeds through pathways dominated by pure dephasing, while those with large diabatic coupling proceed through pathways limited by dissipation. The perspective introduced here for the nonadiabatic dynamics of open quantum systems generalizes classical notions of reactive paths to fundamentally quantum mechanical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Sachdev-Ye-Kitaev model on a noisy quantum computer

Here we study the SYK model -- an important toy model for quantum gravity on IBM's superconducting qubit quantum computers. By using a graph-coloring algorithm to minimize the number of commuting clusters of terms in the qubitized Hamiltonian, we find the gate complexity of the time evolution using the first-order product formula for N Majorana fermions is $\mathscr{O}$(N 5 J 2 t 2 /ε) where J is the dimensionful coupling parameter, t is the evolution time, and ε is the desired precision. With this improved resource requirement, we perform the time evolution for N=6,8 with maximum two-qubit circuit depth of 343. We perform different error mitigation schemes on the noisy hardware results and find good agreement with the exact diagonalization results on classical computers and noiseless simulators. In particular, we compute return probability after time t and out-of-time order correlators (OTOC) which is a standard observable of quantifying the chaotic nature of quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Diverging Quantum Speed Limits: A Herald of Classicality

When is the quantum speed limit (QSL) really quantum? While vanishing QSL times often indicate emergent classical behavior, it is still not entirely understood what precise aspects of classicality are at the origin of this dynamical feature. Here, we show that vanishing QSL times (or, equivalently, diverging quantum speeds) can be traced back to reduced uncertainty in quantum observables and can thus be understood as a consequence of emerging classicality for these particular observables. We illustrate this mechanism by developing a QSL formalism for continuous-variable quantum systems undergoing general Gaussian dynamics. For these systems, we show that three typical scenarios leading to vanishing QSL times, namely large squeezing, small effective Planck’s constant, and large particle number, can be fundamentally connected to each other. In contrast, by studying the dynamics of open quantum systems and mixed states, we show that the classicality that emerges due to incoherent mixing of states from the addition of classical noise typically increases the QSL time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Programmable interactions and emergent geometry in an array of atom clouds

Interactions govern the flow of information and the formation of correlations between constituents of many-body quantum systems, dictating phases of matter found in nature and forms of entanglement generated in the laboratory. Typical interactions decay with distance and thus produce a network of connectivity governed by geometry—such as the crystalline structure of a material or the trapping sites of atoms in a quantum simulator. However, many envisioned applications in quantum simulation and computation require more complex coupling graphs including non-local interactions, which feature in models of information scrambling in black hole, and mappings of hard optimization problems onto frustrated classical magnets. Here we describe the realization of programmable non-local interactions in an array of atomic ensembles within an optical cavity, in which photons carry information between atomic spins. By programming the distance dependence of the interactions, we access effective geometries for which the dimensionality, topology and metric are entirely distinct from the physical geometry of the array. As examples, we engineer an antiferromagnetic triangular ladder, a Möbius strip with sign-changing interactions and a treelike geometry inspired by concepts of quantum gravity. The tree graph constitutes a toy model of holographic duality, in which the quantum system lies on the boundary of a higher-dimensional geometry that emerges from measured correlations. Overall, our work provides broader prospects for simulating frustrated magnets and topological phases, investigating quantum optimization paradigms and engineering entangled resource states for sensing and computation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

The complete Heyting algebra of subsystems and contextuality

The finite set of subsystems of a finite quantum system with variables in Z(n), is studied as a Heyting algebra. The physical meaning of the logical connectives is discussed. It is shown that disjunction of subsystems is more general concept than superposition. Consequently, the quantum probabilities related to commuting projectors in the subsystems, are incompatible with associativity of the join in the Heyting algebra, unless if the variables belong to the same chain. This leads to contextuality, which in the present formalism has as contexts, the chains in the Heyting algebra. Logical Bell inequalities, which contain “Heyting factors,” are discussed. The formalism is also applied to the infinite set of all finite quantum systems, which is appropriately enlarged in order to become a complete Heyting algebra.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Steady-state properties of multi-orbital systems using quantum Monte Carlo

A precise dynamical characterization of quantum impurity models with multiple interacting orbitals is challenging. In quantum Monte Carlo methods, this is embodied by sign problems. A dynamical sign problem makes it exponentially difficult to simulate long times. A multi-orbital sign problem generally results in a prohibitive computational cost for systems with multiple impurity degrees of freedom even in static equilibrium calculations. Here, we present a numerically exact inchworm method that simultaneously alleviates both sign problems, enabling simulation of multi-orbital systems directly in the equilibrium or nonequilibrium steady-state. The method combines ideas from the recently developed steady-state inchworm Monte Carlo framework [Erpenbeck et al., Phys. Rev. Lett. 130, 186301 (2023)] with other ideas from the equilibrium multi-orbital inchworm algorithm [Eidelstein et al., Phys. Rev. Lett. 124, 206405 (2020)]. We verify our method by comparison with analytical limits and numerical results from previous methods.

Chemistry↗
DOE OSTI2017

Rescuing a Quantum Phase Transition with Quantum Noise

In this work, we show that placing a quantum system in contact with an environment can enhance non-Fermi-liquid correlations, rather than destroy quantum effects, as is typical. The system consists of two quantum dots in series with two leads; the highly resistive leads couple charge flow through the dots to the electromagnetic environment, the source of quantum noise. While the charge transport inhibits a quantum phase transition, the quantum noise reduces charge transport and restores the transition. We find a non-Fermi-liquid intermediate fixed point for all strengths of the noise. For strong noise, it is similar to the intermediate fixed point of the two-impurity Kondo model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Tunnel transport and interlayer excitons in bilayer fractional quantum Hall systems

In a bilayer system consisting of a composite-fermion Fermi sea in each layer, the tunnel current is exponentially suppressed at zero bias, followed by a strong peak at a finite bias voltage V max . This behavior, which is qualitatively different from that observed for the electron Fermi sea, provides fundamental insight into the strongly correlated non-Fermi liquid nature of the CF Fermi sea and, in particular, offers a window into the short-distance high-energy physics of this highly non-trivial state. We identify the exciton responsible for the peak current and provide a quantitative account of the value of V max . The excitonic attraction is shown to be quantitatively significant, and its variation accounts for the increase of V max with the application of an in-plane magnetic field. Here, we also estimate the critical Zeeman energy where transition occurs from a fully spin polarized composite fermion Fermi sea to a partially spin polarized one, carefully incorporating corrections due to finite width and Landau level mixing, and find it to be in satisfactory agreement with the Zeeman energy where a qualitative change has been observed for the onset bias voltage. For fractional quantum Hall states, we predict a substantial discontinuous jump in V max when the system undergoes a transition from a fully spin polarized state to a spin singlet or a partially spin polarized state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

BPS chaos

Black holes are chaotic quantum systems that are expected to exhibit random matrix statistics in their finite energy spectrum. Lin, Maldacena, Rozenberg and Shan (LMRS) have proposed a related characterization of chaos for the ground states of BPS black holes with finite area horizons. On a separate front, the “fuzzball program” has uncovered large families of horizon-free geometries that account for the entropy of holographic BPS systems, but only in situations with sufficient supersymmetry to exclude finite area horizons. The highly structured, non-random nature of these solutions seems in tension with strong chaos. We verify this intuition by performing analytic and numerical calculations of the LMRS diagnostic in the corresponding boundary quantum system. In particular we examine the 1/2 and 1/4-BPS sectors of \mathcal{N}=4 𝒩 = 4 SYM, and the two charge sector of the D1-D5 CFT. We find evidence that these systems are only weakly chaotic, with a Thouless time determining the onset of chaos that grows as a power of N N . In contrast, finite horizon area BPS black holes should be strongly chaotic, with a Thouless time of order one. In this case, finite energy chaotic states become BPS as N N is decreased through the recently discovered “fortuity” mechanism. Hence they can plausibly retain their strongly chaotic character.

Chen, Yiming (ORCID:0000000218613230)↗
DOE OSTI2013

Toward Understanding the Microscopic Origin of Nuclear Clustering

Open Quantum System (OQS) description of a many-body system involves interaction of Shell Model (SM) states through the particle continuum. In realistic nuclear applications, this interaction may lead to collective phenomena in the ensemble of SM states. We claim that the nuclear clustering is an emergent, near-threshold phenomenon, which cannot be elucidated within the Closed Quantum System (CQS) framework. We approach this problem by investigating the near-threshold behavior of Exceptional Points (EPs) in the realistic Continuum Shell Model (CSM). The consequences for the alpha-clustering phenomenon are discussed.

Okolowicz, J.↗
DOE OSTI2020

Detection of topology via entanglement oscillations

In this work, we introduce a characterization of topological order based on bulk oscillations of the entanglement entropy and the definition of an “entanglement gap,” showing that it is generally applicable to pure and disordered quantum systems. Using exact diagonalization and the strong disorder renormalization group method, we demonstrate that this approach gives results in agreement with the use of traditional topological invariants, especially in cases where topological order is known to persist in the presence of off-diagonal bond disorder. The entanglement gap is then used to analyze classes of quantum systems with alternating bond types, allowing us to construct their topological phase diagrams. The validity of these phase diagrams is verified in limiting cases of dominant bond types, where the solution is known.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

IBM Open Science Price - SWAP Gate Challenge

On November 30, 2020, IBM announced an open science price competition aimed at improving the fidelity of a SWAP gate on their 7 qubit Quantum system named ”Casablanca”. The details of the SWAP gate problem was outlined in a Jupyter notebook, which utilizes the IBM developed open source package Qiskit. The participants were allowed to work in teams with up to five people and restricted to only use open source software in solving the problem. Their results were due on April 16, 2021. Our approach to solving the SWAP gate challenge is based on the quantum optimal control techniques implemented in our open source packages Juqbox.jl and Quandary. The results from the optimal control approach is only as good as the accuracy in the description of the quantum system dynamics, characterized by a Hamiltonian model that was provided by IBM. Based on the calibrated control pulses IBM provide for the standard gate set, we developed a reverse engineering approach to calibrate our computational model. Techniques were developed to translate between Qiskit’s pulse representation and the B-spline formulation used in Juqbox and Quandary. The fidelity of the optimized pulse sequences were estimated using Qiskit’s randomized bench marking techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Consistency conditions for an AdS multiscale entanglement renormalization ansatz correspondence

The multiscale entanglement renormalization ansatz (MERA) is a tensor network that provides an efficient way of variationally estimating the ground state of a critical quantum system. The network geometry resembles a discretization of spatial slices of an anti–de Sitter (AdS) spacetime and “geodesics” in the MERA reproduce the Ryu-Takayanagi formula for the entanglement entropy of a boundary region in terms of bulk properties. It has therefore been suggested that there could be an AdS/MERA correspondence, relating states in the Hilbert space of the boundary quantum system to ones defined on the bulk lattice. In this report, we explore this proposal and derive necessary conditions for it to apply, using geometric features and entropy inequalities that we expect to hold in the bulk. We show that, perhaps unsurprisingly, the MERA lattice can only describe physics on length scales larger than the AdS radius. Similarly, using the covariant entropy bound in the bulk, we show that there are no conventional MERA parameters that completely reproduce bulk physics even on super-AdS scales. We suggest modifications or generalizations of this kind of tensor network that may be able to provide a more robust correspondence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling

An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Geometric uncertainty relation for mixed quantum states

In this paper we use symplectic reduction in an Uhlmann bundle to construct a principal fiber bundle over a general space of unitarily equivalent mixed quantum states. The bundle, which generalizes the Hopf bundle for pure states, gives in a canonical way rise to a Riemannian metric and a symplectic structure on the base space. With these we derive a geometric uncertainty relation for observables acting on quantum systems in mixed states. We also give a geometric proof of the classical Robertson-Schrödinger uncertainty relation, and we compare the two. They turn out not to be equivalent, because of the multiple dimensions of the gauge group for general mixed states. We give examples of observables for which the geometric relation provides a stronger estimate than that of Robertson and Schrödinger, and vice versa.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Nuclear three-body problem in the complex energy plane: Complex-scaling Slater method

The physics of open quantum systems is an interdisciplinary area of research. The nuclear “openness” manifests itself through the presence of the many-body continuum representing various decay, scattering, and reaction channels. As the radioactive nuclear beam experimentation extends the known nuclear landscape toward the particle drip lines, the coupling to the continuum space becomes exceedingly more important. Of particular interest are weakly bound and unbound nuclear states appearing around particle thresholds. Theories of such nuclei must take into account their open quantum nature. To describe open quantum systems, we introduce a complex-scaling (CS) approach in the Slater basis. We benchmark it with the complex-energy Gamow shell model (GSM) by studying energies and wave functions of the bound and unbound states of the two-neutron halo nucleus 6 He viewed as an $α + n + n$ cluster system. Both CS and GSM approaches are applied to a translationally invariant Hamiltonian with the two-body interaction approximated by the finite-range central Minnesota force. In the CS approach, we use the Slater basis, which exhibits the correct asymptotic behavior at large distances. To extract particle densities from the back-rotated CS solutions, we apply the Tikhonov regularization procedure, which minimizes the ultraviolet numerical noise. In this paper, we show that the CS-Slater method is both accurate and efficient. Its equivalence to the GSM approach has been demonstrated numerically for both energies and wave functions of 6 He. One important technical aspect of our calculation was to fully retrieve the correct asymptotic behavior of a resonance state from the complex-scaled (square-integrable) wave function. While standard applications of the inverse complex transformation to the complex-rotated solution provide unstable results, the stabilization method fully reproduces the GSM benchmark. We also propose a method to determine the smoothing parameter of the Tikhonov regularization. The combined suite of CS-Slater and GSM techniques has many attractive features when applied to nuclear problems involving weakly bound and unbound states. While both methods can describe energies, total widths, and wave functions of nuclear states, the CS-Slater method—if it can be applied—can provide additional information about partial energy widths associated with individual thresholds.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Small-world complex network generation on a digital quantum processor

Abstract Quantum cellular automata (QCA) evolve qubits in a quantum circuit depending only on the states of their neighborhoods and model how rich physical complexity can emerge from a simple set of underlying dynamical rules. The inability of classical computers to simulate large quantum systems hinders the elucidation of quantum cellular automata, but quantum computers offer an ideal simulation platform. Here, we experimentally realize QCA on a digital quantum processor, simulating a one-dimensional Goldilocks rule on chains of up to 23 superconducting qubits. We calculate calibrated and error-mitigated population dynamics and complex network measures, which indicate the formation of small-world mutual information networks. These networks decohere at fixed circuit depth independent of system size, the largest of which corresponding to 1,056 two-qubit gates. Such computations may enable the employment of QCA in applications like the simulation of strongly-correlated matter or beyond-classical computational demonstrations.

97 MATHEMATICS AND COMPUTING↗