At the interface of quantum information and condensed matter physics, the study of entanglement in quantum many-body systems requires a new toolset which combines concepts from each. This thesis introduces a set of computational methods to study phases and phase transitions in lattice models of quantum systems, using the Renyi entropies as a means of quantifying entanglement. The scaling of entanglement entropy can give valuable insight into the phase of a condensed matter system. It can be used to detect exotic types of phases, to pinpoint transitions between phases, and can give us universal information about a system. \nThe first approach in this thesis is a technique to measure entanglement in finite size \nlattice systems using zero-temperature quantum Monte Carlo simulations. The algorithm \nis developed, implemented, and used to explore anomalous entanglement scaling terms in \nthe spin-1/2 Heisenberg antiferromagnet. \nIn the second part of this thesis, a new and complementary numerical technique is introduced to study entanglement not just in finite size systems, but as we approach the thermodynamic limit. This “numerical linked-cluster expansion” is used to study two different systems at their quantum critical points — continuous phase transitions occurring at zero temperature, at which these systems exhibit universal properties. Remarkably, these universal properties can be reflected in the scaling of entanglement. \nEntanglement offers a new perspective on condensed matter systems, one which takes us closer to genuinely understanding what goes on in these materials at the quantum mechanical level. This thesis demonstrates the first steps in developing an extensive list of computational tools that can be used to study entanglement over a wide range of interacting quantum many-body systems. With the ever increasing computational power available, it may be only a matter of time before these tools are used to create a comprehensive framework for the characterization of condensed matter phases and phase transitions.
At the interface of quantum information and condensed matter physics, the study of entanglement in quantum many-body systems requires a new toolset which combines concepts from each. This thesis introduces a set of computational methods to study phases and phase transitions in lattice models of quantum systems, using the Renyi entropies as a means of quantifying entanglement. The scaling of entanglement entropy can give valuable insight into the phase of a condensed matter system. It can be used to detect exotic types of phases, to pinpoint transitions between phases, and can give us universal information about a system. \nThe first approach in this thesis is a technique to measure entanglement in finite size \nlattice systems using zero-temperature quantum Monte Carlo simulations. The algorithm \nis developed, implemented, and used to explore anomalous entanglement scaling terms in \nthe spin-1/2 Heisenberg antiferromagnet. \nIn the second part of this thesis, a new and complementary numerical technique is introduced to study entanglement not just in finite size systems, but as we approach the thermodynamic limit. This “numerical linked-cluster expansion” is used to study two different systems at their quantum critical points — continuous phase transitions occurring at zero temperature, at which these systems exhibit universal properties. Remarkably, these universal properties can be reflected in the scaling of entanglement. \nEntanglement offers a new perspective on condensed matter systems, one which takes us closer to genuinely understanding what goes on in these materials at the quantum mechanical level. This thesis demonstrates the first steps in developing an extensive list of computational tools that can be used to study entanglement over a wide range of interacting quantum many-body systems. With the ever increasing computational power available, it may be only a matter of time before these tools are used to create a comprehensive framework for the characterization of condensed matter phases and phase transitions.
Although entanglement is a well studied property in the context of quantum systems, the ability to measure it in Monte Carlo methods is relatively new. \nThrough measures of the Renyi entanglement entropy and mutual information one is able to examine and characterize criticality, pinpoint phase transitions, and probe universality. \nWe describe the most basic algorithms for calculating these quantities in straightforward Monte Carlo methods and state of the art techniques used in high performance computing. \nThis description emphasizes the core principal of these measurements and allows one to both build an intuition for these quantities and how they are useful in numerical studies. \n \nUsing the Renyi entanglement entropy we demonstrate the ability to detect thermal phase transitions in the Ising model and XY model without use of an order parameter. \nThe scaling near the critical point also shows signatures identifying the universality class of the model. \nImproved methods are explored using extended ensemble techniques that can increase calculation efficiency, and show good agreement with the standard approach. \nWe explore the "ratio trick" at finite temperature and use it to explore the quantum critical fan of the one dimensional transverse field Ising model, showing agreement with finite temperature and finite size scaling from field theory. \nThis same technique is used at zero temperature to explore the geometric dependence of the entanglement entropy and examine the universal scaling functions in the two dimensional transverse field Ising model. \nAll of this shows the multitude of ways in which the study of the Renyi entanglement entropy can be efficiently and practically used in conventional and exotic condensed matter systems, and should serve as a reference for those wishing to use it as a tool.
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.
Quantum many-body systems are comprised of complex networks of microscopic interactions that work together to produce novel collective phases and phenomena. \nFor strongly-interacting systems, the connection between the underlying atomic-scale behaviour and the resulting emergent observable phenomena is exponentially (and, in practice, infinitely) complicated such that it becomes impossible to fully understand the connection between the physics at the microscopic and macroscopic levels. \nThe most promising theoretical approaches to addressing this infinite complexity utilize microscopic coarse-graining along with powerful computational simulations and strategies. \nIn this thesis, we apply numerical methods to effective lattice models and field theories with the goal of shedding light onto universal critical behaviour and exotic low-temperature phases in condensed matter physics. \n \nWe start by exploring universal features of critical non-interacting systems, for which several analytical strategies are readily available for calculating certain observables. \nWe study the behaviour of the system's entanglement for various entangling geometries, and utilize numerical techniques in order to isolate new universal features of Gaussian fixed points, which provide insight into the underlying critical theory's renormalization group flow. \nWe then proceed to examine computational strategies and, in particular, Monte Carlo simulations for studying more general interacting models. \nWe focus on the application of such strategies to the field of high-temperature superconductivity, for which we develop a coarse-grained model, simulate macroscopic observables and compare our results with those of recent experiments. \nWe conclude that lattice field theories together with innovative computational methods offer new perspectives on both universality and emergent phenomena in quantum matter.
Abstract We develop a nonequilibrium increment method in quantum Monte Carlo simulations to obtain the Rényi entanglement entropy of various quantum many-body systems with high efficiency and precision. To demonstrate its power, we show the results on a few important yet difficult (2 + 1)dquantum lattice models, ranging from the Heisenberg quantum antiferromagnet with spontaneous symmetry breaking, the quantum critical point with O(3) conformal field theory (CFT) to the toric code Z2 Z2 topological ordered state and the Kagome Z2 Z2 quantum spin liquid model with frustration and multi-spin interactions. In all these cases, our method either reveals the precise CFT data from the logarithmic correction or extracts the quantum dimension in topological order, from the dominant area law in finite-size scaling, with very large system sizes, controlled errorbars, and minimal computational costs. Our method, therefore, establishes a controlled and practical computation paradigm to obtain the difficult yet important universal properties in highly entangled quantum matter.
The interplay of the constituents of interacting many-body systems may reveal emergent properties on the macroscopic scale which are not inherent to the individual constituents. These properties are expressed in macroscopic observables \ndescribing the state — denoted as the phase of the system. Continuous phase transition between phases are generically manifested in critical behavior, for example, a divergence of a macroscopic observable. The identification of the present phase of a system and the classification of critical phenomena into universality classes are exciting challenges of condensed-matter physics. \nIn this thesis, we use entanglement entropies as macroscopic quantities for the characterization of phases of quantum matter and critical theories. For groundstates of quantum many-body systems the entanglement entropy is a measure of \nthe amount of entanglement between two subsystems. The generic dependence of the entanglement entropy on the size and shape of the subsystems is contained in the well-known boundary law — stating a scaling of the entanglement entropy with the boundary between the two subsystems. We numerically investigate how the coefficient of this dependence reflects quantum phase transitions in simple spin-half bilayer models. \nSubleading terms to the boundary law such as a logarithmic contribution provide universal numbers for the criticality of field theories. We examine free and interacting theories from an entanglement entropy perspective in order to assess the role of the coefficient of the logarithmic correction induced by corners in the subsystems. Beyond its universality, this coefficient also quantifies degrees of freedom of low-lying excitations in the conformal field theory describing a critical point. \nA constant contribution to the boundary law indicates the presence of so-called topological order in the ground state of a many-body system. This extremely useful property can also be identified in classical counterparts of entanglement entropy which we study at the example of various toric code models. To this endeavor, we have designed Monte Carlo techniques which allow for an efficient numerical computation of the constant contribution. In particular, we analyze via entanglement entropies under which conditions remnants of topological order are present in the quantum system at finite temperature and at perturbations from a magnetic field. The major motivation behind this effort is to use topological order for the robust storage of a quantum information — a basic need for the construction of quantum \ncomputers.
In contrast to classical many-particle systems for which the number of degrees of freedom grows linearly with the system size, it grows exponentially for quantum many-particle systems. On the one hand, the resulting complexity of the quantum systems has a high potential for technological advances if it can be exploited directly. For example, in recent years, the fundamentals for the realization of quantum computers and their possible applications have been investigated intensely. On the other hand, the high complexity, especially in strongly correlated regimes, often makes the analytical or numerical analysis of underlying physical phenomena very difficult. This is why some systems of high technological relevance, like the high-temperature superconductors, are still unsatisfactorily understood. A main topic of this thesis is the development of efficient numerical methods for the simulation of strongly correlated quantum lattice models. For one-dimensional systems, the density-matrix renormalization-group (DMRG) is such a very successful method. The physical states of interest are approximated within a certain class of ansatz states. These ansatz states are designed in a way that the number of degrees of freedom are prevented from growing exponentially. With the DMRG method, ground states of interacting one-dimensional systems can often be determined with very high precision. This observation indicates already that ground states actually do not exhaust the available exponential number of degrees of freedom but can be described efficiently with much fewer parameters. The ansatz states used in DMRG are the so-called matrix product states. A very useful criterion for the construction of corresponding appropriate ansatz states for higher-dimensional systems is the quantum nonlocality as for example quantified by the entanglement entropy. The ansatz states should be able to reproduce the scaling properties of the quantum nonlocality in the physical states of interest with as few parameters as possible. The first part of the thesis, therefore, provides analytical and numerical analysis of the scaling of quantum nonlocality with the system size or time in different, physically relevant scenarios. For example, the scaling of Renyi entropies and their dependence on boundary conditions is derived within the 1+1-dimensional conformal field theory. Conjectures and analytical indications concerning the properties of entanglement entropy in critical fermionic and bosonic systems are confirmed numerically with high precision. For integrable models in the thermodynamic limit, general preconditions are derived under which subsystems converge to steady states. These steady states are non-thermal and retain information about the initial state. It is shown that the entanglement entropy in such steady states is extensive. For short times, the entanglement entropy grows typically linearly with time, causing an exponential increase in computation costs for the DMRG method. Consequently, time-dependent DMRG simulations usually have no direct access to the long time regime. The second part of the thesis focuses on the development and improvement of the above-mentioned numerical techniques. The time-dependent DMRG is complemented with an extrapolation technique for the evaluated observables. In this way, the problem of the entropy increase can be circumvented, allowing for a precise determination of spectral functions. The method is demonstrated using the example of the Heisenberg antiferromagnet and results are compared to Bethe-Ansatz data for T=0 and quantum Monte Carlo data for T>0. For the simulation of higher-dimensional systems, projected-entangled pair-states (PEPS) and the multiscale entanglement renormalization ansatz (MERA) turn out to be appropriate wavefunction classes. Initially, they could only be used for spin systems. Within this thesis, variants of those state classes are being suggested for the fermionic case. It is shown how the known algorithms for spin systems can be translated into corresponding algorithms for the fermionic systems. The occurring computation costs increase only by a marginal overhead. First numerical benchmarking tests proceeded successfully. Thus, new techniques are available which can for example be used to examine the two-dimensional Hubbard model. This model is a candidate for the description of high-temperature superconductivity.