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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantum real-time evolution using tensor renormalization group methods

We introduce an approach for approximate real-time evolution of quantum systems using tensor renormalization group (TRG) methods originally developed for imaginary time. We use higher-order TRG to generate a coarse-grained time evolution operator for a 1+1⁢D transverse Ising model with a longitudinal field. We show that the standard tensor norm used for the singular value decomposition-based truncation is degenerate and propose an alternate method to discriminate. We show that it is effective and efficient in evolving Gaussian wave packets for one and two particles in the disordered phase, while ordered phase behavior is more challenging to capture. We compare our algorithm with local simulators for universal quantum computers and discuss possible benchmarking in the near future.

lattice gauge theory↗
DOE OSTI2019

Diffusive dynamics of critical fluctuations near the QCD critical point

A quantitatively reliable theoretical description of the dynamics of fluctuations in nonequilibrium is indispensable in the experimental search for the QCD critical point by means of ultrarelativistic heavy-ion collisions. Herein we consider the fluctuations of the net-baryon density which becomes the slow, critical mode near the critical point. Due to net-baryon number conservation the dynamics is described by the fluid dynamical diffusion equation, which we extend to contain a white noise stochastic current. Including nonlinear couplings from the 3d Ising model universality class in the free energy functional, we solve the fully interacting theory in a finite size system. We observe that purely Gaussian white noise generates non-Gaussian fluctuations, but finite size effects and exact net-baryon number conservation lead to significant deviations from the expected behavior in equilibrated systems. In particular the skewness shows a qualitative deviation from infinite volume expectations.With this benchmark established we study the real-time dynamics of the fluctuations. We recover the expected dynamical scaling behavior and observe retardation effects and the impact of critical slowing down near the pseudocritical temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Dynamical tuning of the chemical potential to achieve a target particle number in grand canonical Monte Carlo simulations

We present a method to facilitate Monte Carlo simulations in the grand canonical ensemble given a target mean particle number. The method imposes a fictitious dynamics on the chemical potential, to be run concurrently with the Monte Carlo sampling of the physical system. Corrections to the chemical potential are made according to time-averaged estimates of the mean and variance of the particle number, with the latter being proportional to thermodynamic compressibility. Here, we perform a variety of tests, and in all cases find rapid convergence of the chemical potential—inexactness of the tuning algorithm contributes only a minor part of the total measurement error for realistic simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Group-equivariant autoencoder for identifying spontaneously broken symmetries

We introduce the group-equivariant autoencoder (GE autoencoder), a deep neural network (DNN) method that locates phase boundaries by determining which symmetries of the Hamiltonian have spontaneously broken at each temperature. We use group theory to deduce which symmetries of the system remain intact in all phases, and then use this information to constrain the parameters of the GE autoencoder such that the encoder learns an order parameter invariant to these “never-broken” symmetries. This procedure produces a dramatic reduction in the number of free parameters such that the GE-autoencoder size is independent of the system size. We include symmetry regularization terms in the loss function of the GE autoencoder so that the learned order parameter is also equivariant to the remaining symmetries of the system. By examining the group representation by which the learned order parameter transforms, we are then able to extract information about the associated spontaneous symmetry breaking. We test the GE autoencoder on the 2D classical ferromagnetic and antiferromagnetic Ising models, finding that the GE autoencoder (1) accurately determines which symmetries have spontaneously broken at each temperature; (2) estimates the critical temperature in the thermodynamic limit with greater accuracy, robustness, and time efficiency than a symmetry-agnostic baseline autoencoder; and (3) detects the presence of an external symmetry-breaking magnetic field with greater sensitivity than the baseline method. Lastly, we describe various key implementation details, including a quadratic-programming-based method for extracting the critical temperature estimate from trained autoencoders and calculations of the DNN initialization and learning rate settings required for fair model comparisons.

42 ENGINEERING↗
DOE OSTI2018

Examples of renormalization group transformations for image sets

Using the example of configurations generated with the worm algorithm for the two-dimensional Ising model, we propose renormalization group (RG) transformations, inspired by the tensor RG, that can be applied to sets of images. We relate criticality to the logarithmic divergence of the largest principal component. We discuss the changes in link occupation under the RG transformation, suggest ways to obtain data collapse, and compare with the two-state tensor RG approximation near the fixed point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Indications for a Critical End Point in the Phase Diagram for Hot and Dense Nuclear Matter

Here, excitation functions for the Gaussian emission source radii difference ( R out 2 - R side 2 ) obtained from two-pion interferometry measurements in Au + Au ( s N N = 7.7 – 200 GeV ) and Pb + Pb ( s N N = 2.76 TeV ) collisions are reported on for a broad range of collision centralities. The observed nonmonotonic excitation functions validate the finite-size scaling patterns expected for the deconfinement phase transition and the critical end point (CEP), in the temperature versus baryon chemical potential ( T , μ B ) plane of the nuclear matter phase diagram. A finite-size scaling (FSS) analysis of these data suggests a second order phase transition with the estimates T cep ~ 165 MeV and μ B cep ~ 95 MeV for the location of the critical end point. The critical exponents ( ν ≈ 0.66 and γ ≈ 1.2 ) extracted via the same FSS analysis place this CEP in the 3D Ising model universality class.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Universal Off-Equilibrium Scaling of Critical Cumulants in the QCD Phase Diagram

Exploiting the universality between the QCD critical point and the three-dimensional Ising model, closed form expressions derived for nonequilibrium critical cumulants on the crossover side of the critical point reveal that they can differ in both magnitude and sign from equilibrium expectations. Here, we demonstrate here that key elements of the Kibble-Zurek framework of nonequilibrium phase transitions can be employed to describe the dynamics of these critical cumulants. Lastly, our results suggest that observables sensitive to critical dynamics in heavy-ion collisions should be expressible as universal scaling functions, thereby providing powerful model-independent guidance in searches for the QCD critical point.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Variational Approach to Monte Carlo Renormalization Group

We present a Monte Carlo method for computing the renormalized coupling constants and the critical exponents within renormalization theory. The scheme, which derives from a variational principle, overcomes critical slowing down, by means of a bias potential that renders the coarse grained variables uncorrelated. Here, the two-dimensional Ising model is used to illustrate the method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Fast Rotational Diffusion of Water Molecules in a 2D Hydrogen Bond Network at Cryogenic Temperatures

Individual water molecules or small clusters of water molecules contained within microporous minerals present an extreme case of confinement where the local structure of hydrogen bond networks are dramatically altered from bulk water. In the zinc silicate hemimorphite, the water molecules form a two-dimensional hydrogen bond network with hydroxyl groups in the crystal framework. Here in this paper, we present a combined experimental and theoretical study of the structure and dynamics of water molecules within this network. The water molecules undergo a continuous phase transition in their orientational configuration analogous to a two-dimensional Ising model. The incoherent dynamic structure factor reveals two thermally activated relaxation processes, one on a subpicosecond timescale and another on a 10–100 ps timescale, between 70 and 130 K. The slow process is an in-plane reorientation of the water molecule involving the breaking of hydrogen bonds with a framework that, despite the low temperatures involved, is analogous to rotational diffusion of water molecules in the bulk liquid. The fast process is a localized motion of the water molecule with no apparent analogs among known bulk or confined phases of water.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Simulation of Nonequilibrium Dynamics on a Quantum Computer

We present a hybrid quantum-classical algorithm for the time evolution of out-of-equilibrium thermal states. Here, the method depends on classically computing a sparse approximation to the density matrix and, then, time-evolving each matrix element via the quantum computer. For this exploratory study, we investigate a time-dependent Ising model with five spins on the Rigetti Forest quantum virtual machine and a one spin system on the Rigetti 8Q-Agave quantum processor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Universal Statistics of Topological Defects Formed in a Quantum Phase Transition

We report when a quantum phase transition is crossed in finite time, critical slowing down leads to the breakdown of adiabatic dynamics and the formation of topological defects. The average density of defects scales with the quench rate following a universal power law predicted by the Kibble-Zurek mechanism. We analyze the full counting statistics of kinks and report the exact kink number distribution in the transverse-field quantum Ising model. Kink statistics is described by the Poisson binomial distribution with all cumulants exhibiting a universal power law scaling with the quench rate. Lastly, in the absence of finite-size effects, the distribution approaches a normal one, a feature that is expected to apply broadly in systems described by the Kibble-Zurek mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Nonthermal States Arising from Confinement in One and Two Dimensions

We show that confinement in the quantum Ising model leads to nonthermal eigenstates, in both continuum and lattice theories, in both one (1D) and two dimensions (2D). In the ordered phase, the presence of a confining longitudinal field leads to a profound restructuring of the excitation spectrum, with the low-energy two-particle continuum being replaced by discrete “meson” modes (linearly confined pairs of domain walls). These modes exist far into the spectrum and are atypical, in the sense that expectation values in the state with energy $E$ do not agree with the microcanonical (thermal) ensemble prediction. Single meson states persist above the two-meson threshold due to a surprising lack of hybridization with the (n ≥ 4)-domain wall continuum, a result that survives into the thermodynamic limit and that can be understood from analytical calculations. The presence of such states is revealed in anomalous postquench dynamics, such as the lack of a light cone, the suppression of the growth of entanglement entropy, and the absence of thermalization for some initial states. In conclusion, the nonthermal states are confined to the ordered phase—the disordered (paramagnetic) phase exhibits typical thermalization patterns in both 1D and 2D in the absence of integrability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Probing Ground-State Phase Transitions through Quench Dynamics

The study of quantum phase transitions requires the preparation of a many-body system near its ground state, a challenging task for many experimental systems. The measurement of quench dynamics, on the other hand, is now a routine practice in most cold atom platforms. Here we show that quintessential ingredients of quantum phase transitions can be probed directly with quench dynamics in integrable and nearly integrable systems. As a paradigmatic example, we study global quench dynamics in a transverse-field Ising model with either short-range or long-range interactions. When the model is integrable, we discover a new dynamical critical point with a nonanalytic signature in the short-range correlators. The location of the dynamical critical point matches that of the quantum critical point and can be identified using a finite-time scaling method. We extend this scaling picture to systems near integrability and demonstrate the continued existence of a dynamical critical point detectable at prethermal timescales. We quantify the difference in the locations of the dynamical and quantum critical points away from (but near) integrability. Thus, we demonstrate that this method can be used to approximately locate the quantum critical point near integrability. Furthermore, the scaling method is also relevant to experiments with finite time and system size, and our predictions are testable in near-term experiments with trapped ions and Rydberg atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Isometric Tensor Network States in Two Dimensions

Tensor-network states (TNS) are a promising but numerically challenging tool for simulating two-dimensional (2D) quantum many-body problems. We introduce an isometric restriction of the TNS ansatz that allows for highly efficient contraction of the network. Here we consider two concrete applications using this ansatz. First, we show that a matrix-product state representation of a 2D quantum state can be iteratively transformed into an isometric 2D TNS. Second, we introduce a 2D version of the time-evolving block decimation algorithm for approximating of the ground state of a Hamiltonian as an isometric TNS-which we demonstrate for the 2D transverse field Ising model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Transverse-Field Ising Dynamics in a Rydberg-Dressed Atomic Gas

Here, we report on the realization of long-range Ising interactions in a cold gas of cesium atoms by Rydberg dressing. The interactions are enhanced by coupling to Rydberg states in the vicinity of a Förster resonance. We characterize the interactions by measuring the mean-field shift of the clock transition via Ramsey spectroscopy, observing one-axis twisting dynamics. We furthermore emulate a transverse-field Ising model by periodic application of a microwave field and detect dynamical signatures of the paramagnetic-ferromagnetic phase transition. Our results highlight the power of optical addressing for achieving local and dynamical control of interactions, enabling prospects ranging from investigating Floquet quantum criticality to producing tunable-range spin squeezing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Optimal Protocols in Quantum Annealing and Quantum Approximate Optimization Algorithm Problems

Quantum annealing (QA) and the quantum approximate optimization algorithm (QAOA) are two special cases of the following control problem: apply a combination of two Hamiltonians to minimize the energy of a quantum state. Which is more effective has remained unclear. Here we analytically apply the framework of optimal control theory to show that generically, given a fixed amount of time, the optimal procedure has the pulsed (or “bang-bang”) structure of QAOA at the beginning and end but can have a smooth annealing structure in between. This is in contrast to previous works which have suggested that bang-bang (i.e., QAOA) protocols are ideal. To support this theoretical work, we carry out simulations of various transverse field Ising models, demonstrating that bang-anneal-bang protocols are more common. Futher, the general features identified here provide guideposts for the nascent experimental implementations of quantum optimization algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Experimental Measurement of Out-of-Time-Ordered Correlators at Finite Temperature

Out-of-time-ordered correlators (OTOCs) are a key observable in a wide range of interconnected fields including many-body physics, quantum information science, and quantum gravity. Measuring OTOCs using near-term quantum simulators will extend our ability to explore fundamental aspects of these fields and the subtle connections between them. Here, we demonstrate an experimental method to measure OTOCs at finite temperatures and use the method to study their temperature dependence. These measurements are performed on a digital quantum computer running a simulation of the transverse field Ising model. Our flexible method, based on the creation of a thermofield double state, can be extended to other models and enables us to probe the OTOC’s temperature-dependent decay rate. Measuring this decay rate opens up the possibility of testing the fundamental temperature-dependent bounds on quantum information scrambling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Computing Free Energies with Fluctuation Relations on Quantum Computers

As a central thermodynamic property, free energy enables the calculation of virtually any equilibrium property of a physical system, allowing for the construction of phase diagrams and predictions about transport, chemical reactions, and biological processes. Thus, methods for efficiently computing free energies, which in general is a difficult problem, are of great interest to broad areas of physics and the natural sciences. The majority of techniques for computing free energies target classical systems, leaving the computation of free energies in quantum systems less explored. Recently developed fluctuation relations enable the computation of free energy differences in quantum systems from an ensemble of dynamic simulations. While performing such simulations is exponentially hard on classical computers, quantum computers can efficiently simulate the dynamics of quantum systems. Here, we present an algorithm utilizing a fluctuation relation known as the Jarzynski equality to approximate free energy differences of quantum systems on a quantum computer. In this work we discuss under which conditions our approximation becomes exact, and under which conditions it serves as a strict upper bound. Furthermore, we successfully demonstrate a proof of concept of our algorithm using the transverse field Ising model on a real quantum processor. As quantum hardware continues to improve, we anticipate that our algorithm will enable computation of free energy differences for a wide range of quantum systems useful across the natural sciences.

97 MATHEMATICS AND COMPUTING↗