This paper presents a novel mathematical framework for modeling phase transitions in quantum spin systems with long-range interactions using nonlinear variational inequalities (NVIs). Traditional methods such as mean-field theory and Landau-Ginzburg models often fall short in capturing spatial inhomogeneities, critical phenomena, and constraints inherent in realistic spin systems. Our approach addresses these limitations by reformulating the energy-based governing equations as an NVI problem defined over a suitable convex set of physically admissible spin configurations. We incorporate both Ising and Heisenberg-type quantum lattice models with power-law decaying interactions to accurately represent nonlocal effects. This research provides rigorous mathematical preliminaries, including operator-theoretic foundations in Hilbert and Banach spaces, and prove existence and uniqueness results under monotonicity and coercivity assumptions. Analytical insights include bifurcation analysis, critical point theory, and regularity of solutions, offering a robust theoretical foundation for understanding phase transitions. A finite element–Galerkin discretization is developed to simulate the variational system numerically. Simulation results demonstrate the emergence of ordered phases, spin textures, and domain formation, consistent with known physical behavior. Comparisons with classical models reveal the advantages of the NVI framework in capturing phase boundaries and metastable states with higher fidelity. The proposed framework also opens pathways for extending the analysis to quantum entanglement, topological order, and non-equilibrium phenomena. This research thus contributes both to the mathematical theory of variational inequalities and to the physical modeling of quantum spin systems, providing tools for deeper exploration of complex condensed matter phenomena.
This paper presents a novel mathematical framework for modeling phase transitions in quantum spin systems with long-range interactions using nonlinear variational inequalities (NVIs). Traditional methods such as mean-field theory and Landau-Ginzburg models often fall short in capturing spatial inhomogeneities, critical phenomena, and constraints inherent in realistic spin systems. Our approach addresses these limitations by reformulating the energy-based governing equations as an NVI problem defined over a suitable convex set of physically admissible spin configurations. We incorporate both Ising and Heisenberg-type quantum lattice models with power-law decaying interactions to accurately represent nonlocal effects. This research provides rigorous mathematical preliminaries, including operator-theoretic foundations in Hilbert and Banach spaces, and prove existence and uniqueness results under monotonicity and coercivity assumptions. Analytical insights include bifurcation analysis, critical point theory, and regularity of solutions, offering a robust theoretical foundation for understanding phase transitions. A finite element–Galerkin discretization is developed to simulate the variational system numerically. Simulation results demonstrate the emergence of ordered phases, spin textures, and domain formation, consistent with known physical behavior. Comparisons with classical models reveal the advantages of the NVI framework in capturing phase boundaries and metastable states with higher fidelity. The proposed framework also opens pathways for extending the analysis to quantum entanglement, topological order, and non-equilibrium phenomena. This research thus contributes both to the mathematical theory of variational inequalities and to the physical modeling of quantum spin systems, providing tools for deeper exploration of complex condensed matter phenomena.
The classical Landau–Lifshitz–Gilbert (LLG) equation has long served as a cornerstone for modeling magnetization dynamics in magnetic systems, yet its classical nature limits its applicability to inherently quantum phenomena such as entanglement and nonlocal correlations. Inspired by the need to incorporate quantum effects into spin dynamics, recently a quantum generalization of the LLG equation is proposed [Phys. Rev. Lett. 133, 266704 (2024)] which captures essential quantum behavior in many-body systems. In this work, we develop a robust numerical methodology tailored to this quantum LLG framework that not only handles the complexity of quantum many-body systems but also preserves the intrinsic mathematical structures and physical properties dictated by the equation. We apply the proposed method to a class of quantum systems with a moderate number of spins that host host topological states of matter, and demonstrate rich quantum behavior, including the emergence of long-time entangled states. This approach opens a pathway toward reliable simulations of quantum magnetism beyond classical approximations, potentially leading to new discoveries.
The investigation of the behavior of both classical and quantum systems on non-Euclidean surfaces near the phase transition point represents an interesting research area of modern physics. In the case of classical spin systems, a generalization of the Corner Transfer Matrix Renormalization Group algorithm has been developed and successfully applied to spin models on infinitely many regular hyperbolic lattices. In this work, we extend these studies to specific types of lattices. It is important to say that no suitable algorithms for numerical analysis of ground-states of quantum systems in similar conditions have been implemented yet. In this work, we offer a particular solution by proposing a variational numerical algorithm Tensor Product Variational Formulation, which assumes a quantum ground-state written in the form of a low-dimensional uniform tensor product state. We apply the Tensor Product Variational Formulation to three typical quantum models on a variety of regular hyperbolic lattices. The main outcomes are the following: (1) We propose an algorithm for calculation and classification of the thermodynamic properties of the Ising model on triangular-tiled hyperbolic lattices. In addition, we investigate the origin of the mean-field universality on a series of weakly curved lattices. (2) We develop the Tensor Product Variational Formulation algorithm for the numerical analysis of the ground-state of the quantum systems on the hyperbolic lattices. (3) We study quantum phase transition phenomena for the three selected spin models on various types of the hyperbolic lattices including the Bethe lattice.
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.
Topology is a fascinating phenomena in condensed-matter physics typically associated with a bulk gap. However, recent research shifts focus to quantum critical points or phases that exhibit nontrivial topological properties. Here we explore a cluster-Ising chain with long-range antiferromagnetic interactions that decay as a power law with distance. Using large-scale density matrix renormalization group simulations, we demonstrate that the nontrivial topology at the critical point remains stable against long-range interactions, resulting in a topologically nontrivial critical line. Moreover, even within the gapped region, the interplay between topology and long-range interaction can give rise to a topological phase featuring algebraically decaying correlations and edge modes, similar to gapless topological phases. We refer to this phase as the algebraic topological phase, which exhibits nontrivial gapless topological behaviors and arises solely from long-range interactions without short-range counterparts. The findings pave the way for more studies on topological states in long-range systems. Long-range interactions play a crucial role in condensed-matter systems and can lead to range of emerging and exotic physical phenomenon. Here using simulations, the authors investigate the non-trivial topological properties that can arise in a cluster Ising chain with long-range antiferromagnetic interactions, finding evidence for what they classify as an algebraic symmetry-protected topological phase.
Non-equilibrium quantum phase transitions (NEQPTs) represent a frontier in condensed matter physics and quantum statistical mechanics, characterized by abrupt changes in the steady-state properties of open quantum systems or by critical dynamics in closed systems far from thermal equilibrium. Unlike their equilibrium counterparts, NEQPTs are profoundly influenced by driving forces, dissipation, and the specific dynamics of quantum quenches. Understanding these complex phenomena requires theoretical frameworks that can accurately capture both strong correlations and real-time evolution in the presence of environmental interactions. Traditional theoretical tools, such as purely variational methods or purely perturbative expansions, often fall short when dealing with the intricate interplay of coherent and incoherent processes characteristic of NEQPTs. Variational approaches, while adept at capturing ground state properties and short-time dynamics within a chosen ansatz, struggle with long-time thermalization and the inclusion of subtle quantum and thermal fluctuations beyond the variational manifold. Conversely, perturbative methods, particularly those based on the Keldysh formalism, can systematically include interactions and environmental effects but typically rely on a small expansion parameter, limiting their applicability to weakly interacting or weakly driven regimes. This paper proposes a novel "Variational-Perturbative Unification" framework designed to overcome these limitations. The core idea is to combine the strengths of both approaches: using a variational ansatz to capture the dominant non-equilibrium many-body state or dynamics, and then systematically incorporating quantum and thermal fluctuations, as well as dissipation, through a perturbative expansion around this optimized variational state. This hybrid methodology aims to provide a robust and accurate description of NEQPTs, offering insights into critical exponents, universality classes, and the dynamic pathways to steady states. We explore the theoretical underpinnings of this unified approach, discuss its potential applications to driven-dissipative systems and quantum quenches, and highlight how it can reveal novel non-equilibrium phenomena.
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.