Constrained models play a pivotal role in condensed matter physics by capturing essential features of strongly interacting many-body systems. These models impose local or global restrictions that mirror real physical constraints, enabling the study of complex emergent behaviors. For instance, hard-core dimer models reflect physical systems with strong local constraints due to repulsive interactions. Similarly, loop models, vertex models, and height representations provide constrained frameworks that reveal rich phase structures and critical phenomena. In quantum systems, constraints often emerge naturally from microscopic Hamiltonian and lead to phenomena such as fractionalization and quantum spin liquids. Constrained models act as fertile grounds for theoretical insight, enabling exact solutions, mapping to field theories, and exploring universal behaviors. They also bridge condensed matter with disciplines like statistical mechanics, combinatorics, and computational complexity, offering a unified language to study order, disorder, and transitions in systems ranging from magnets to artificial spin ices and cold atomic gases. This thesis investigates critical phenomena, strongly correlated models, and optimization problems on aperiodic lattices, with a particular focus on NP-hard problems, dimer models, and their classical and quantum variants. Moving beyond periodic lattices like square and honeycomb structures, this research delves into the less understood area of aperiodic systems, such as quasicrystals, which exhibit long-range order without translational symmetry. These structures challenge traditional paradigms of condensed matter physics and open avenues for discovering new critical behaviors. I present original contributions that combine analytical methods and numerical algorithms to study constrained systems on quasicrystalline tilings. These include the solution of NP-hard optimization problems like the Hamiltonian cycle on Ammann-Beenker tilings, an energy-based worm algorithm for simulating classical dimers on random graphs and modified Penrose tilings, and the analytical solution of the dimer partition function on the newly discovered aperiodic Spectre tiling. I further extend the study to quantum systems by analytically investigating the quantum dimer model (QDM) on the Spectre tiling and numerically analyzing it on the Ammann-Beenker tiling, revealing distinctive ground-state properties and quantum phase transitions that arise due to aperiodicity and local tiling constraints. This work builds interdisciplinary bridges between condensed matter physics, graph theory, and computational complexity. It also sheds light on the feasibility and limitations of transferring universal results from periodic systems to aperiodic ones.
Constrained models play a pivotal role in condensed matter physics by capturing essential features of strongly interacting many-body systems. These models impose local or global restrictions that mirror real physical constraints, enabling the study of complex emergent behaviors. For instance, hard-core dimer models reflect physical systems with strong local constraints due to repulsive interactions. Similarly, loop models, vertex models, and height representations provide constrained frameworks that reveal rich phase structures and critical phenomena. In quantum systems, constraints often emerge naturally from microscopic Hamiltonian and lead to phenomena such as fractionalization and quantum spin liquids. Constrained models act as fertile grounds for theoretical insight, enabling exact solutions, mapping to field theories, and exploring universal behaviors. They also bridge condensed matter with disciplines like statistical mechanics, combinatorics, and computational complexity, offering a unified language to study order, disorder, and transitions in systems ranging from magnets to artificial spin ices and cold atomic gases. This thesis investigates critical phenomena, strongly correlated models, and optimization problems on aperiodic lattices, with a particular focus on NP-hard problems, dimer models, and their classical and quantum variants. Moving beyond periodic lattices like square and honeycomb structures, this research delves into the less understood area of aperiodic systems, such as quasicrystals, which exhibit long-range order without translational symmetry. These structures challenge traditional paradigms of condensed matter physics and open avenues for discovering new critical behaviors. I present original contributions that combine analytical methods and numerical algorithms to study constrained systems on quasicrystalline tilings. These include the solution of NP-hard optimization problems like the Hamiltonian cycle on Ammann-Beenker tilings, an energy-based worm algorithm for simulating classical dimers on random graphs and modified Penrose tilings, and the analytical solution of the dimer partition function on the newly discovered aperiodic Spectre tiling. I further extend the study to quantum systems by analytically investigating the quantum dimer model (QDM) on the Spectre tiling and numerically analyzing it on the Ammann-Beenker tiling, revealing distinctive ground-state properties and quantum phase transitions that arise due to aperiodicity and local tiling constraints. This work builds interdisciplinary bridges between condensed matter physics, graph theory, and computational complexity. It also sheds light on the feasibility and limitations of transferring universal results from periodic systems to aperiodic ones.
This thesis presents computational studies of three different models of many-body physics with direct or indirect constraints. The presence of constraints in complex many-body systems calls for non-trivial numerical algorithms to study them. The first two models which have a direct form of local constraint are the Rokhsar-Kivelson Quantum Dimer model (QDM) and a classical statistical mechanics model of non-intersecting loops with attractive interactions, both on the square lattice. The investigations of such constrained models have found a recent resurgence with their direct realizations on Rydberg atom arrays quantum simulators. The study of the classical model uses a Monte Carlo directed loop algorithm while the QDM calls for a novel Quantum Monte Carlo scheme based on the framework of Stochastic Series Expansions called the Sweeping Cluster Algorithm (SCA). We present a modification of the SCA in order to render simulations fully ergodic at finite temperature. For both models, our numerical studies show the existence of a critical phase separated by a phase transition at finite temperature to an ordered phase of dimers or loops which spontaneously breaks certain lattice symmetries. We show that for the case where the interaction is attractive this phase transition is of Kosterlitz-Thouless type and can be understood by constructing a coarse-grained field theory through a height mapping. The finite temperature phase diagram of the QDM presents an unusual re-entrance behavior in the critical phase. The final part of this thesis deals with the role of non-abelian symmetries in the thermalization process of quantum many-body systems. We study the high-energy eigenstates of a SU(3) symmetric spin chain in presence of disorder. While the model does not directly have constraints, we perform exact diagonalization in a constrained basis of Young tableau making use of the full SU(3) symmetry of the model. By looking at the commonly used probes for thermalization (spectral statistics, distribution of local observables and scaling of entanglement entropy), we show that the model exhibits a non-ergodic regime over a broad range of system sizes for strong enough disorder, contrasting with the rapid thermalization observed at weak disorder.
Classical and quantum spin systems are widely used models in both experimental and theoretical condensed matter physics. In many materials, the electronic interactions can be difficult to model exactly. However, in some insulators (Mott insulators), the magnetic (spin) interactions can be captured well with spin-only models. Several models are studied in this thesis. First, I report the solution of a long-standing issue in a classical frustrated spin model (i.e., where the quantum effects are neglected and the complexity is due to competing interactions): the nature of the thermal phase transition to a stripe state in the two dimensional (2D) J1-J2 model. Here J1 and J2 are nearest- and next-nearest-neighbor couplings. Monte Carlo simulations with single-spin updates are used for the calculations, and an extended-ensemble method, a generalization of the Wang-Landau algorithm, is also developed and tested. I focus on the study of "weak universality" behavior (continuously varying critical exponents, with one of the exponents staying fixed), for which I show a correspondence with a known class of conformal field theories with charge c = 1. Next, moving to quantum spins, to shed light on magnetic systems studied experimentally and to investigate new types of quantum states of interest in developing theories of quantum magnetism, I study the S = 1/2 Heisenberg model on the 2D square lattice with added six-spin interactions (the so-called J-Q3 model) as well as a set of 3D quantum antiferromagnets on dimerized lattices. Here I use the stochastic series expansion quantum Monte Carlo method. In the study of the J-Q3 model, I report on a similar weak-universality behavior as in the classical J1-J2 model, but with a mapping to a different known class of c = 1 conformal field theories. The critical behavior of the system again shows continuously changing exponents, in a way which corresponds to a gradual weakening of Z4 symmetry-breaking to an emergent U(1) symmetry. In the study of dimerized antiferromagnets, I report on a universal behavior of the Néel temperature TN, which can be related to ground state parameters independently of the microscopic interaction details in several different models.
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.
(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.
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 the last decade the non-equilibrium dynamics of isolated quantum systems has raised a huge interest for both its conceptual and practical implications. Simulation of quantum dynamics represents by now a very active research effort, with highly controllable quantum devices composed of hundreds of qubits already being realized in numerous setups. These offer the unprecedented possibility to access real-time quantum dynamics and strongly correlated quantum many-body states, opening numerous avenues not only for future quantum technologies, but also for long-standing theoretical problems. One of the most sought-after applications is the computation of real-time evolution in theories of fundamental interactions. Since Wilson's proposal in 1974, the equilibrium phase diagrams of lattice gauge theories have been successfully investigated with Monte Carlo simulations in a wide range of parameters. Nonequilibrium properties, on the other hand, cannot be accessed with conventional techniques. Thanks to the recent advances in numerics (e.g. tensor networks) and experiments (quantum simulation), new promising tools are now available for tackling these questions. Remarkable works have already demonstrated that applying these techniques to simple theories, such as one-dimensional quantum electrodynamics, can help to detect the signatures of confinement and pair creation. Despite these impressive achievements, investigating the non-equilibrium dynamics of gauge theories with quantum simulators turned out to be extremely challenging. This is mostly due to the complex constrained dynamics of these theories, which make their simulation with realistic atomic platforms particularly difficult. At the same time, the dynamical constraints can play a key role in determining novel interesting phenomena and peculiar non-equilibrium properties. These phenomena -- which include, for example, quantum scars, fractons, Hilbert space fragmentation -- can lead to anomalous dynamics, eventually evading the paradigm of thermalization, which predicts the relaxation of physical observable to their thermodynamic values. The aim of this thesis is twofold: first, we want to address through a combination of numerical and analytical tools some of the open questions regarding the non-equilibrium dynamics of quantum many-body systems with constrained Hilbert spaces, including lattice gauge theories. In addition, the work reported here is part of a large effort of the community towards the quantum simulation of complex phenomena of condensed matter and high-energy physics.