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ACS symposium series

Estimating Ground State Entanglement Entropy Using Path Integral Molecular Dynamics

Dmitri Iouchtchenko, Pierre–Nicholas Roy

Published Jan 1, 2016• 4 citations
Publisher

Abstract

We provide a perspective on the calculation of ground state entanglement properties of many-body bosonic systems with continuous degrees of freedom using path integral molecular dynamics sampling. To date, such ground state calculations have been performed using quantum Monte Carlo sampling and we show here that the Langevin Equation path integral ground state (LePIGS) dynamics sampling approach can be practical. A key challenge is the computation of reduced density matrices required for the estimation of the so-called Rényi entanglement entropy. We provide proof of concept results using a novel path integral molecular dynamics implementation of the permutation operator. This implementation allows us to efficiently estimate particle entanglement entropy in arbitrary continuum systems, among other quantities.

DOI
10.1021/bk-2016-1234.ch010

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We provide a perspective on the calculation of ground state entanglement properties of many-body bosonic systems with continuous degrees of freedom using path integral molecular dynamics sampling. To date, such ground state calculations have been performed using quantum Monte Carlo sampling and we show here that the Langevin Equation path integral ground state (LePIGS) dynamics sampling approach can be practical. A key challenge is the computation of reduced density matrices required for the estimation of the so-called Rényi entanglement entropy. We provide proof of concept results using a novel path integral molecular dynamics implementation of the permutation operator. This implementation allows us to efficiently estimate particle entanglement entropy in arbitrary continuum systems, among other quantities.
We introduce a quantum Monte Carlo algorithm to measure the Rényi entanglement entropies in systems of interacting bosons in the continuum. This approach is based on a path-integral ground state method that can be applied to interacting itinerant bosons in any spatial dimension with direct relevance to experimental systems of quantum fluids. We demonstrate how it may be used to compute spatial mode entanglement, particle partitioned entanglement, and the entanglement of particles, providing insights into quantum correlations generated by fluctuations, indistinguishability, and interactions. We present proof-of-principle calculations and benchmark against an exactly soluble model of interacting bosons in one spatial dimension. As this algorithm retains the fundamental polynomial scaling of quantum Monte Carlo when applied to sign-problem-free models, future applications should allow for the study of entanglement entropy in large-scale many-body systems of interacting bosons.
A ground state path integral quantum Monte Carlo algorithm is introduced that allows for the study of entanglement in lattice bosons at zero temperature. The Rényi entanglement entropy between spatial subregions is explored across the phase diagram of the one dimensional Bose-Hubbard model for systems consisting of up to L=256 L = 256 sites at unit-filling without any restrictions on site occupancy, far beyond the reach of exact diagonalization. The favorable scaling of the algorithm is demonstrated through a further measurement of the Rényi entanglement entropy at the two dimensional superfluid-insulator critical point for large system sizes, confirming the existence of the expected entanglement boundary law in the ground state. The Rényi estimator is extended to measure the symmetry resolved entanglement that is operationally accessible as a resource for experimentally relevant lattice gases with fixed total particle number.
We calculate the second Rényi entanglement entropy for systems of interacting linear rotors in their ground state as a measure of entanglement for continuous rotational degrees of freedom. The entropy is defined in relation to the purity of a subsystem in a bipartite quantum system, and to compute it, we compare two sampling ensembles based on the path integral ground state (PIGS) formalism. This scheme centers on the replica trick and is aided by the ratio trick, both developed in this context by Hastings et al. [Phys. Rev. Lett. 104, 157201 (2010)]. We study a system composed of linear quantum rotors on a lattice in one dimension, interacting via an anisotropic dipole-dipole potential. The ground state second Rényi entropies estimated by PIGS are benchmarked against those from the density matrix renormalization group for various interaction strengths and system sizes. We find that the entropy grows with an increase in interaction strength, and for large enough systems, it appears to plateau near log(2). We posit that the limiting case of many strongly interacting rotors behaves akin to a lattice of two-level particles in a cat state, in which one naturally finds an entanglement entropy of log(2).
Our understanding of physical phenomena hinges on finding universal core mechanisms that unite them. The concept of universality is deeply ingrained in the study of quantum many-body systems. At zero temperature, microscopically different systems with long-range order collapse into their universal state described by a handful of universal parameters. Establishing those parameters implies identification of the universal theory that is effectively describing the system and ultimately providing the desired understanding. We take up this task with the help of Renyi entanglement entropy. Defined with respect to a system bipartition, this measure quantifies information shared between the subsystems. Understanding what insights into universality are encoded within this information-theoretic quantity as well as developing numerical tools to efficiently estimate the Renyi entanglement entropy are the subjects of this thesis. \n \nOn the computational end of this far-reaching goal, we develop a novel theoretical framework for constructing improved Renyi entanglement entropy estimators in the context of d+1 quantum Monte Carlo methods. The discovery of a connection of this methodology to the well-established Kandel-Domany formalism provides a clear path towards generalization. Additionally, we embrace a data-driven approach towards learning the ground state wavefunction. We demonstrate how a restricted Boltzmann machine can be used to reconstruct the Renyi entanglement entropy from projective measurements of a quantum ground state. Furthermore, we extend this classical generative architecture to a quantum analogue that we call the quantum Boltzmann machine. \n \nOn the theoretical side of this endeavour, we study the Renyi entanglement entropy scaling terms for two quantum lattice models embedded in two dimensional space via extensive quantum Monte Carlo simulations. For the ground state of the XY model, we provide conclusive numerical evidence for a logarithmic contribution that uniquely characterizes the continuous symmetry of the emerging order parameter. Moreover, we confirm the form of the subleading universal geometric contribution arising due to the bosonic nature of low-energy degrees of freedom in this model. For the critical ground state of the transverse field Ising model, we develop a novel scaling procedure to extract a universal number κ revealed via a cylindrical entangling bipartition in the thin-slice limit. The combined product of our work sheds new light on the entanglement-based classification of universality and brings a suite of new powerful numerical tools to continue illuminating this theoretical program in the future.
Entanglement of spatial bipartitions, used to explore lattice models in condensed matter physics, may be insufficient to fully describe itinerant quantum many-body systems in the continuum. We introduce a procedure to measure the R\'enyi entanglement entropies on a particle bipartition, with general applicability to continuum Hamiltonians via path integral Monte Carlo methods. Via direct simulations of interacting bosons in one spatial dimension, we confirm a logarithmic scaling of the single-particle entanglement entropy with the number of particles in the system. The coefficient of this logarithmic scaling increases with interaction strength, saturating to unity in the strongly interacting limit. Additionally, we show that the single-particle entanglement entropy is bounded by the condensate fraction, suggesting a practical route towards its measurement in future experiments.
We present a general scheme for the calculation of the R\'enyi entropy of a subsystem in quantum many-body models that can be efficiently simulated via quantum Monte Carlo. When the simulation is performed at very low temperature, the above approach delivers the entanglement R\'enyi entropy of the subsystem, and it allows us to explore the crossover to the thermal R\'enyi entropy as the temperature is increased. We implement this scheme explicitly within the stochastic series expansion as well as within path-integral Monte Carlo, and apply it to quantum spin and quantum rotor models. In the case of quantum spins, we show that relevant models in two dimensions with reduced symmetry (XXXXXX model or hard-core bosons, transverse-field Ising model at the quantum critical point) exhibit an area law for the scaling of the entanglement entropy.