Quantum many body physics is an exciting research area, involving novel phases of matter with fundamentally new properties, but is also notoriously hard due to complexity of interacting quantum systems. Some popular approaches involve approximation techniques and numerical simulations, which are known to fail in several important cases. In contrast, rigorous mathematical tools, such as exact solutions and operator inequalities, have a narrower range of applicability, but provide guaranteed results and insights into the underlying physical mechanisms. This research aims to develop new techniques in this direction and use them to explore novel phases of matter. My first direction is to construct toy models where exact solutions are possible. Such models are important as they prove that certain physical phenomena are theoretically possible in nature, and often lead to the discovery of new phases. Such insights are provided by three exactly solvable models I have discovered: (1) a family of 1D quantum spin models hosting free parastatistical quasiparticles (an exotic type of identical particles beyond fermions, bosons, and anyons), proving for the first time that parastatistics is theoretically possible as an emergent phenomenon; (2) a 3D classical Ising model whose phases are characterized by topological features of certain loop observables, suggesting existence of previously unknown classical phases and phase transitions with topological order parameters; and (3) a family of models with exact p-wave superconducting ground states demonstrating the existence of Majorana quasiparticles and non-Abelian statistics in particle number-conserving systems. My second direction is to derive rigorous bounds and exact constraints on physical observables, which are applicable to large families of quantum many-body systems. I present three directions of progress: (1) a method that dramatically improves the upper bounds on the speed of information propagation in locally-interacting systems, which significantly extends the scope of these bounds and enables new applications; (2) bounds on finite-size errors in numerical simulations of lattice systems, including quench dynamics and gapped ground states; and (3) a locality bound on gapped ground states of power-law interacting systems, which leads to a generalization of the aforementioned error bounds to such systems. These error bounds have important theoretical implications such as proving the existence of the thermodynamic limit and stability of phases, and are practically useful in determining the validity of finite-size numerical simulations.
Quantum many body physics is an exciting research area, involving novel phases of matter with fundamentally new properties, but is also notoriously hard due to complexity of interacting quantum systems. Some popular approaches involve approximation techniques and numerical simulations, which are known to fail in several important cases. In contrast, rigorous mathematical tools, such as exact solutions and operator inequalities, have a narrower range of applicability, but provide guaranteed results and insights into the underlying physical mechanisms. This research aims to develop new techniques in this direction and use them to explore novel phases of matter. My first direction is to construct toy models where exact solutions are possible. Such models are important as they prove that certain physical phenomena are theoretically possible in nature, and often lead to the discovery of new phases. Such insights are provided by three exactly solvable models I have discovered: (1) a family of 1D quantum spin models hosting free parastatistical quasiparticles (an exotic type of identical particles beyond fermions, bosons, and anyons), proving for the first time that parastatistics is theoretically possible as an emergent phenomenon; (2) a 3D classical Ising model whose phases are characterized by topological features of certain loop observables, suggesting existence of previously unknown classical phases and phase transitions with topological order parameters; and (3) a family of models with exact p-wave superconducting ground states demonstrating the existence of Majorana quasiparticles and non-Abelian statistics in particle number-conserving systems. My second direction is to derive rigorous bounds and exact constraints on physical observables, which are applicable to large families of quantum many-body systems. I present three directions of progress: (1) a method that dramatically improves the upper bounds on the speed of information propagation in locally-interacting systems, which significantly extends the scope of these bounds and enables new applications; (2) bounds on finite-size errors in numerical simulations of lattice systems, including quench dynamics and gapped ground states; and (3) a locality bound on gapped ground states of power-law interacting systems, which leads to a generalization of the aforementioned error bounds to such systems. These error bounds have important theoretical implications such as proving the existence of the thermodynamic limit and stability of phases, and are practically useful in determining the validity of finite-size numerical simulations.
The Schrödinger equation is nearly a century old, yet we are still in the midst of uncovering the remarkable phenomena emerging in many-body quantum systems. From superconductivity to anyonic quasiparticles, nature consistently surprises with its rich self-organization. To elucidate and grasp this variety, it is paramount to understand the phases of matter that can occur in many-body ground states, as well as their emergent collective excitations. Of particular interest are topological phases of matter, characterized by exotic excitations or edge phenomena. There exist by now several universal frameworks for gapped systems, i.e., those with an energy gap above the ground state. However, in the last decade, a multitude of gapless quantum wires---effectively one-dimensional systems---have been reported to be topologically non-trivial. A framework for their understanding and classification is missing. In addition to ground state order---topological or otherwise---a more complete picture involves the properties of excitations above the ground state. Alas, little is known about excitations beyond the universal low-energy regime. In part, this is due to a lack of analytical and numerical methods able to describe excitations at finite energies, especially in strongly-interacting systems beyond one dimension. In this thesis, we address these issues: firstly, we build a general understanding of topological phases in one dimension, including both gapped and gapless cases. In particular, we unify previously studied examples into a single framework. Secondly, we develop a novel numerical method for obtaining spectral functions in two dimensions---these give direct insight into the properties of excitations and are moreover experimentally measurable. Using this numerical method, we uncover a variety of robust properties of excitations at finite energies. Part I of this thesis concerns gapped and gapless topological phases in one dimension. In Chapter 2, we first treat the case of non-interacting fermions. Therein, we review the known classification of gapped phases before extending it to the gapless case, showing that exponentially-localized Majorana zero modes can still emerge at the edge when the bulk is gapless. Interacting gapped phases are discussed in Chapter 3, with a focus on symmetry-protected topological order. These have already been classified; our contribution is to provide a non-technical review of this classification as well as showing that many paradigmatic model Hamiltonians can be related to one another. Finally, Chapter 4 introduces the notion of symmetry-enriched quantum criticality, which we propose as a framework for classifying gapless phases. The key message is that in the presence of symmetries, a universality class can divide into distinct phases, characterized by the symmetry action on the low-energy scaling operators. This includes gapless topological phases, with examples hiding in plain sight; we clarify their stability and reinterpret previously studied examples. Part II studies the excitations above the ground states of two-dimensional quantum spin models. The main object of our study is the dynamic spin structure factor; this type of spectral function is reviewed in the first part of Chapter 5. The second part of this chapter introduces a novel matrix-product-state-based algorithm to efficiently compute it, opening a new window on the dynamics of two-dimensional quantum systems. We benchmark this numerical method in Chapter 6 on the exactly-solvable Kitaev model---a paradigmatic topological model realizing a quantum spin liquid. By adding non-integrable Heisenberg perturbations, we identify the first unequivocal theoretical realization of a proximate spin liquid: the ground state becomes conventionally ordered, yet the high-energy spectral properties are structurally similar to those of the nearby Kitaev spin liquid. The latter agrees with aspects of recent inelastic neutron scattering experiments on alpha-RuCl3. In Chapter 7, we turn to one of the oldest models in many-body quantum physics: the spin-1/2 Heisenberg antiferromagnet on the square lattice. Despite its venerable history, there is still disagreement about the physical origin of high-energy spectral features which low-order spin wave theory cannot account for. We provide a simple picture for this strongly-interacting-magnon feature by connecting it to a simple Ising limit. Lastly, Chapter 8 discusses the stability of quasiparticles---collective excitations behaving like a single emergent entity, of which magnons are a prime example. These are often known to be stable at the lowest energies and are presumed to decay whenever this is seemingly allowed by energy and momentum conservation. However, we show that strong interactions can prevent this from happening. We numerically confirm this principle of avoided decay in the (slightly-detuned) Heisenberg antiferromagnet on the triangular lattice. Moreover, we can even identify its fingerprints in existing experimental data on Ba3CoSb2O9 and superfluid helium. In this thesis, we thus enlarge our understanding of quantum phases and their excitations. The identification of the key principles of gapless topological phases in one dimension calls for direct analogues in higher dimensions, waiting to be uncovered. With regard to the robust properties of the excitations identified in this thesis, we are hopeful that these can be extended into a theory of quasiparticle properties away from the universal low-energy regime.
(English) In recent years, the evolution of quantum technologies has resulted in an unprecedented control over individual quantum particles and many-body systems. This remarkable progress has given rise to a new era, marked by the convergence of classical and quantum methodologies to investigate fundamental questions concerning the nature of quantum matter, improving our understanding of the role of entanglement in solid-state systems or the mechanisms behind high-energy physics. From analog quantum simulators to digital quantum computers, these advancements hold potential across diverse domains. This thesis explores the interplay between classical and quantum methods in understanding topological phases of matter. We concentrate on three distinct directions: non-conventional topological superconductors, interaction-induced topological phases in ultracold atom quantum simulators, and applications of variational quantum algorithms. Each trajectory relies on the combination of different techniques with the aim of understanding and characterizing topological phenomena in different settings. Exploring non-conventional topological superconductors involves extending the paradigmatic Kitaev chain model by incorporating additional terms in the Hamiltonian such as long-range interactions and quasi-periodic potentials. This investigation is relevant to better understand the impact of real-world conditions on the both the topological and localization properties of systems hosting non-local Majorana modes, which are promising candidates for topological quantum computation. In the realm of interacting systems, we explore the realization of interaction-induced topological phases in systems of ultracold atoms in optical lattices, both in one and two dimensions. The remarkable control and versatility of such platforms enable the simulation of both theoretical topological models and strongly correlated physics. Notably, the interplay between interactions and topology can give rise to intriguing phenomena, such as delocalized fractional charges and gapless topological phases,challenging existing intuition. We employ advanced numerical methods based on tensor networks to benchmark the experimental proposals that open the door to the realization and detection of novel many-body phases of matter, including topological quantum critical points and a higher-order topological Peierls insulator in Bose-Hubbard models with long-range interactions. Variational quantum algorithms, conversely, have the potential to efficiently tackle a wide range of problems, including ground state search, phase classification or accessing topological invariants. Despite current limitations in trainability and scalability, these hybrid classical-quantum algorithms provide practical insights into current quantum hardware capabilities and can inspire future architectures. We explore the application of variational quantum algorithms to shed light on topological phenomena, raising questions about their ability to discern topological phase transitions and compute topological invariants in situations where classical approaches fail. This thesis presents a comprehensive exploration of distinct approaches to topological quantum matter by leveraging quantum technologies and quantum-inspired classical algorithms. Our results not only advance our understanding of quantum systems but also pave the way for the realization and discovery of novel physics extending to quantum information processing, materials science, and beyond.
The study of quantum dynamics is an increasingly important aspect of atomic, molecular and optical physics, as well as condensed-matter physics and other disciplines. It is essential in order to understand non-equilibrium phenomena which do not fit within the framework of equilibrium thermodynamics, such as many-body localization, dynamical quantum phase transitions, and non-equilibrium steady states in driven-dissipative systems. However, the exact calculation of dynamical observables is extremely difficult in general for several reasons, which makes it challenging for theoretical predictions and analyses to keep pace with rapidly advancing experiments. In this thesis I use and develop several computational methods to investigate the dynamics of quantum many-body systems, with the two goals of better understanding the evolution of local observables and correlation functions in spin and Fermion systems as well as creating and testing more effective numerical methods for solving quantum dynamics problems. I explore quantum dynamics by using Hamiltonian parameter quenches in several commonly-used models in AMO physics and elsewhere: the Fermi-Hubbard model, the XXZ model, and the transverse-Ising model. The first represents a system of short-range interacting Fermions, while the latter two represent spin systems with different spin-spin couplings and magnetic field terms. All of these models can be realized in current experiments. First, I derive an exact solution for an extreme interaction quench in the Fermi-Hubbard model, from a strongly-interacting initial state to a noninteracting final Hamiltonian. From this result I show that there are nontrivial transient connected correlations, despite the fact that the system has very high temperature and a noninteracting Hamiltonian. Those features would suppress such correlations in equilibrium, but the dynamical correlations are still significant. Then, I develop and examine two numerical methods for solving dynamics of the spin expectation values and correlation functions in the transverse-Ising and XXZ models. Both methods rely on approximating a thermodynamically large system with a much smaller and more computationally tractable cluster of lattice sites, or a series of clusters. The first method is a dynamical numerical linked cluster expansion (NLCE). NLCEs have already been used successfully on systems in thermodynamic equilibrium, and I extended the technique to directly compute the dynamics of an observable after a quantum quench. I review the general NLCE method, describe my dynamical variant of it, and compute the quench dynamics of spin and correlation observables in the transverse-Ising and XXZ models. The second method, which I term the adaptive-boundary cluster method, relies on recently refined bounds on information propagation in quantum systems to choose a cluster of lattice sites that minimizes the finite size error bound of a dynamical computation. I briefly review these bounds, and describe a new algorithm which uses them to construct a cluster whose boundary is chosen according to a related error estimate. Such an adaptive-boundary cluster has the property that there exists a computable upper bound on the finite size error of observables measured at the cluster center, and this error bound is nearly minimal when compared to that of other clusters of the same size. I then compute the quench dynamics of spin and correlation observables in the transverse-Ising model using the adaptive boundary clusters. I apply this method to both uniform and strongly disordered systems. To evaluate the effectiveness of both dynamical NLCE and adaptive-boundary clusters, I compare the results obtained using them to results from a standard and general purpose numerical method: exact solvers applied a rectangular cluster with periodic boundary conditions. Both of the new methods usually converge faster and are more accurate than the standard method for comparable cluster sizes. This thesis illustrates that choosing numerical methods which take advantage of the geometric and entanglement structure of the initial state and Hamiltonian can substantially enhance our ability to study quantum dynamics, by reducing the computational cost of numerically exact solutions. I conclude with a discussion of various avenues for future research to build on this work.
This thesis is focused on the application and development of numerical methods for studying quantum many- body spin systems. Part I sets the stage for research projects. In chapter 1, I go over major milestones in the field of frustrated magnetism, how it fits into a larger category of condensed matter physics, and recent developments that provide context for the research projects presented in part II. Chapters 2 3 provide the reader with necessary concepts in physics of phase transitions and numerical methods that are often employed when studying ground states of quantum many body systems. Part II focuses on the research projects carried out during my PhD research. In chapter 4 I present a machine-learning inspired method for solving quantum many body problems. This method addresses issues of representation of variational wave functions and their optimization. In chapter 5, I present a numerical study on the embedding of an exactly solvable point in a phase diagram of an extended Heisenberg model on a kagome lattice. Chapter 6 studies a quantum Heisenberg model on the stuffed honeycomb lattice. Phase transitions in quantum many body systems manifest themselves as a reorganization of low energy spectra of the system. They come in a variety of forms ranging from symmetry breaking transitions, where a local order parameter is formed and to topological phase transitions where the change of the ground state can be attributed to non-local changes in the entanglement patterns. In chapter 2, I review classic models studied in the context of frustrated magnetism and briefly go over the formulation of Landau symmetry breaking theory and common order parameters. The breakdown of Landau symmetry-breaking theory for topological phase transition is discussed using the example of Resonance Valence Bond (RVB) state, which serves as a qualitative exemplification of spin liquid phases. I discuss means of detecting phase transitions with a focus on methods that are applicable in a numerical setting. Chapter 3 presents elements of the numerical machinery that the rest of the thesis employs and builds upon. I discuss traditional trade-offs and provide rough metrics used for analysis of strengths and drawbacks of different approaches. Then I focus on Exact Diagonalization (ED) and Variational Monte Carlo (VMC) methods that are used in later chapters. In chapter 4, I describe the application of machine learning techniques to the variational approach to the quantum many body problem. I introduce Computational Graph States (CGS), a new class of variational wave functions based on the dataflow programming paradigm. The use of computational graphs makes composing new wave functions easy due to its modular structure. Automatic differentiation allows us to obtain efficient derivatives with respect to variational parameters automatically. We also develop a novel optimization scheme, Supervised Wave-function Optimization. It combines ideas of supervised learning and imaginary time evolution. Our method resolves a number of technical challenges and allows seamless optimization of complicated variational models. During the exploration process we constructed a new class of system size invariant model wave functions that can be trained on one system size and generalized to other system sizes with high accuracy. In chapter 5, we study the phase diagram of the kagome antiferromagnet in the J2, Jz plane, which corresponds to second nearest neighbor interactions and spin anisotropy. We report an exactly solvable point with macroscopic degeneracy at J2 = 0, Jz = −0.5 and show that many phases emanate from around this point. In addition, we find a previously unknown transition within the spin-liquid region suggesting a possibility of two distinct spin liquids. In chapter 6, we consider a Heisenberg model on the stuffed honeycomb lattice which interpolated between the triangular and honeycomb lattices. Using exact diagonalization we compute the phase diagram of this model. We find that for this model, the triangular lattice J1-J2 spin liquid region is extended to a larger domain that has lower symmetries than that of the triangular lattice. We perform a variational study of projected BCS wave functions which we directly compare to exact ground states on 36 site cluster as well as consider variational energies from larger system sizes. We argue that construction of symmetric states is essential to obtain good variational energies and give evidence that Dirac spin-liquid state is likely to characterize the spin liquid phase.
In quantum many-body systems subjected to generic perturbations, eigenstates are typically fragile and prone to strong mixing, leading to rapid thermalization in dynamics to an equilibrium state described by statistical mechanics. However, there exist robust counterexamples that defy this typical expectation, exhibiting novel non-equilibrium phenomena and offering potential applications in (quantum) information processing. This dissertation explores such systems and establishes their stability against perturbations with mathematical rigor. First, by generalizing the exponentially slow tunneling effect in single-particle quantum mechanics, we develop a theory of metastability in quantum many-body systems, demonstrating their nonperturbatively long lifetimes. As a canonical application, we provide the first general and tight bounds on the slow decay of false vacua. Second, it is known that ground states in finite spatial dimensions can resist arbitrary local perturbations through topologically ordered phases of matter. We extend this notion of stability to quantum error-correcting codes in infinite dimensions, specifically quantum low-density parity-check (LDPC) codes. These codes are of significant interest due to their promise of lower fault-tolerance overhead compared to finite-dimensional codes. Lastly, we analyze classical counterparts of LDPC codes and prove that their eigenstates remain localized in the many-body Hilbert space under generic perturbations. This finding presents the first unambiguous example of a robust violation of the eigenstate thermalization hypothesis. To achieve these results, we introduce advanced techniques to control operator locality, leveraging and generalizing methods such as Lieb-Robinson bounds, cluster expansions, and Schrieffer-Wolff transformations. These tools not only underpin our specific findings but may also prove valuable for broader challenges in mathematical physics of quantum many-body systems.
This dissertation concerns the quantum many-body problem, which is the problem of predicting the properties of systems of several quantum particles from the first principles of quantum mechanics. Included under this umbrella are various problems of fundamental importance in quantum chemistry, condensed matter physics, and materials science. Of particular interest is the electronic structure problem, the problem of determining the state of the electrons in a system with fixed atomic nuclei. Since direct numerical solution of the many-body Schrödinger equation is intractable even for systems of moderate size, a diverse array of approximate methods has been developed. The broad goals of this dissertation are to improve the mathematical understanding of certain widely-used approximations, as well as to propose new methods. Roughly speaking, we consider three (overlapping) categories of methods: Green's function methods, embedding methods, and variational methods.One can understand Green's function methods in terms of many-body perturbation theory, which computes series expansions of physical quantities about a non-interacting reference system. These expansions can be expressed graphically in terms of Feynman diagrams, which can in turn be reorganized, in some cases, into an expansion in terms of so-called bold diagrams. Green's function methods can be specified by choosing a subset of bold diagrams to approximate the sum. At the same time, such methods can be understood in terms of an object known as the Luttinger-Ward (LW) functional, which admits a representation in terms of the bold diagrams. Many aspects of these constructions are purely formal, and indeed the existence of the fermionic LW functional as a single-valued functional has recently been called into question. To contribute to the understanding of these issues, we provide rigorous proofs of the combinatorial construction and analytic interpretation of the bold diagrams in the simplified setting of a classical field theory. In this setting we also provide a rigorous non-perturbative construction of the LW functional via convex duality and prove several key properties, including continuity up to the boundary of its domain and asymptotics in the limit of large interaction.Quantum embedding methods, meanwhile, view a large system as being composed of smaller fragments that are treated with high accuracy and embedded in the larger system in a mutually consistent way. Inspired by a connection between the boundary analysis of the LW functional and embedding, we perform similar analysis for the 1-RDM theory for fermionic systems, which is also developed via convex duality, illustrating a relation to fermionic embedding methods such as the density matrix embedding theory (DMET).Another embedding method of note is the dynamical mean-field theory (DMFT), which is at the same time a Green's function method that can be understood in terms of the LW functional. DMFT relies on the solution of impurity problems, which specify the embedding of an interacting system into a non-interacting bath. Underlying DMFT is a result about the sparsity pattern of the self-energy matrix for impurity problems, which to our knowledge has not been proved in the literature. We provide a rigorous proof of this result in various classical and quantum settings. We go on to investigate the fermionic DMFT in depth, identifying the key mathematical structures that appear in the algorithmic loop for solving it and using these to prove the well-posedness of this loop, in a certain sense.Finally, we introduce a suite of new approaches to the quantum many-body problem that provide variational lower bounds to the ground-state energy. These methods, which combine the themes of convexity and embedding, are based on novel convex relaxations of the variational principles for the ground-state energies of many-body systems. To begin, we recover a second-quantized version of the formalism of strictly correlated electrons (SCE), which yields an exact expression for the exchange-correlation functional in Kohn-Sham density functional theory in the limit of infinite Coulomb repulsion in terms of the solution of a multi-marginal optimal transport problem. We introduce a semidefinite relaxation method for approximately solving this problem and obtaining a lower bound for the ground-state energy. The ideas underlying this relaxation are generalized considerably, outside the context of SCE, to yield much tighter lower bounds, which we validate numerically for both quantum spin systems and fermionic systems. We also describe how these relaxation methods can be interpreted as embedding methods via convex duality.