Solving the fundamental microscopic equations of interacting quantum particles is a goal of many-body physicists. Statistical methods reduce the complexity of the problem by sampling phase space selectively using random-walks and real states. Many interesting physical phenomena (e.g., electrons in external magnetic fields) involve systems whose state functions are inherently complex-valued. The Fixed-Phase method is a stochastic approach to deal with such problems. Its key ingredient is a trial phase that plays the role of gauge function in the transformation that maps the original fermion (or boson) problem to a boson problem for the modulus of the state function. The Released-Phase method relaxes that constraint and allows us to obtain, in principle, the "exact" properties, although it is subjected to the infamous "phase problem." In our tour of the (complex) Quantum World, we will show how these methods have been successfully applied to a wide variety of physical phenomena ranging from quantum Hall topological fluids and Wigner crystals to the study of the core structure of vortices in superfluid 4 He and atomic systems in superstrong magnetic fields found in astrophysical settings.
Solving the fundamental microscopic equations of interacting quantum particles is a goal of many-body physicists. Statistical methods reduce the complexity of the problem by sampling phase space selectively using random-walks and real states. Many interesting physical phenomena (e.g., electrons in external magnetic fields) involve systems whose state functions are inherently complex-valued. The Fixed-Phase method is a stochastic approach to deal with such problems. Its key ingredient is a trial phase that plays the role of gauge function in the transformation that maps the original fermion (or boson) problem to a boson problem for the modulus of the state function. The Released-Phase method relaxes that constraint and allows us to obtain, in principle, the "exact" properties, although it is subjected to the infamous "phase problem." In our tour of the (complex) Quantum World, we will show how these methods have been successfully applied to a wide variety of physical phenomena ranging from quantum Hall topological fluids and Wigner crystals to the study of the core structure of vortices in superfluid 4 He and atomic systems in superstrong magnetic fields found in astrophysical settings.
One of the most intriguing areas of physics is the study of strongly correlated many-body systems. In these kinds of systems, a large number of particles interacts via interactions that are strong enough to play a major role in determining the properties of the system, which is particularly interesting when multiple interaction terms compete and cannot be satisfied simultaneously. Examples of phases they realize range from simple magnetism to puzzling phenomena such as superconductivity or topological order. Of special interest in condensed matter are fermionic models which have an extra layer of complexity added by the possibly intricate sign structure of the wave function. \nHowever, exactly solvable models that exhibit the sought-after phenomena are scarce and Hamiltonians that are supposed to model experiments often elude analytical solutions precisely due to the strong interactions. Numerical methods are thus essential to gain insight into these systems and provide an important link between theoretical models and real world experiments. There are many different methods that in principle allow solving a problem numerically exact, most prominently exact diagonalization, tensor network based methods such as DMRG and (quantum) Monte Carlo. Exact diagonalization is certainly the most straightforward technique which allows measuring any observable of interest but its application to interacting models is severely limited by the exponential growth of the Hilbert space with the system size which only allows studying rather small systems. Tensor network methods excel in the study of gapped, one-dimensional systems and while they have shown some impressive results for two-dimensional systems, they need a lot of fine tuning and careful analysis to be considered reliable in this very important domain. Quantum Monte Carlo, on the other hand, is in principle neither limited by the size of the Hilbert space nor by the strength of the interactions and has thus been a tremendously important tool for studying condensed matter systems which is why it is the focus of this thesis. \nIt is necessary to continuously advance existing and develop new techniques to keep up with theoretical as well as with experimental progress. In this thesis, new methods to identify and characterize conventional and novel phases of matter within quantum Monte Carlo are developed and tested on archetypical models of condensed matter. \nIn the first part of this thesis, a method to study entanglement properties of strongly interacting fermionic models in quantum Monte Carlo is presented. Measurements of this kind are needed because some characteristics of a system remain hidden from conventional approaches based on the calculation of correlation functions. Prime examples are systems that realize so-called topological order entailing long-range entanglement that can be positively diagnosed using entanglement techniques. Realizing such measurements in a concrete algorithm is not straightforward for fermions. A large section of this part is thus devoted to developing a solution to the problem of implementing entanglement measurements and benchmarking the results against known data. \nThe second part is concerned with a truly novel and recent approach to the many-body problem, namely the symbiosis of machine learning and quantum Monte Carlo techniques. Out of the many different possibilities to combine the two, this part is concerne with exploring ways in which machine learning can help to effortlessly explore phase diagrams of hitherto unknown Hamiltonians. \nDespite the power and versatility of quantum Monte Carlo techniques, it does suffer from one significant weakness called the fermion sign problem. At its core related to the peculiar exchange statistics of fermions, it is in principle merely a technical problem of the Monte Carlo procedure but one that actually prohibits the use of Monte Carlo methods for a large number of interesting problems. The sign problem has been known for a long time but remains unsolved to this day. Thus, it is time to approach the problem from a different perspective with the hope of learning something new that can either help to better understand the problem itself or the properties of the models affected by it. Both of the two major research areas, entanglement measures and machine learning, are capable of providing such new perspectives and the sign problem will be revisited in more detail in the context of each of them.
Gauge theories and topological phases play a fundamental role in different areas of physics. The first ones are at the basis of the Standard Model in the field of particle physics, describing the electroweak and strong interactions through a non-Abelian gauge theory. In condensed matter and statistical physics, gauge theories arise as low-energy effective descriptions of strongly correlated phenomena, such as quantum spin liquids and quantum Hall effect. In this realm there is a strong connection with topological phases and order, as emergent gauge fermions and bosons often describe collective excitations of new exotic states of matter of spin models. The discretization on a lattice is a possible way of dealing with the strongly coupled nature of these theories, due to the fact that this formulation at finite volume provides natural regularizing cut-offs, i.e. the lattice size and spacing. This allows for the investigation of different non-perturbative properties both numerically and analytically. Despite the success of these methods, there are various aspects which remain intractable due to the sign or complex action problems, like the out of equilibrium real time evolution or the analysis of quantum chromodynamics with finite chemical potential. In this respect, quantum simulators of many-body systems to simulate high energy physics arise as promising alternatives to face these problems in the near future. They are quantum systems that can be controlled and used to simulate more complicated systems, whose properties could not be analysed with classical computational, experimental or theoretical tools. In the last decades, there has been a huge development in the fields of quantum optics and atomic physics, allowing for the realization highly precise and controllable platforms by means of trapped ions, superconducting circuits, Rydberg atoms and ultracold atoms in optical lattices. This work of Thesis is part of these fields and has different purposes, all of them connected with the study of gauge theories and topological phases. Firstly, we want to develop a reformulation of lattice gauge theories in terms of gauge invariant fields, in a way to deal solely with physical variables directly in the action. Among several possible advantages, a crucial point is that this can be particularly helpful for the construction of consistent approximation schemes, such as mean-field theories, in order to understand and capture some of the physical features of the theory and make the mean-field approximation consistent with the Elitzur theorem, stating that a local gauge symmetry can not be spontaneously broken. As a second point, we face the problem of simulating higher dimensional gauge theories with ultracold atoms. One of the challenges in more than one dimension is indeed the realization of plaquette interaction terms in the Hamiltonian of lattice gauge theories: these can be engineered through four correlated hoppings in perturbation theory, or by means of constrained hoppings in the dual formulation. In this respect, our main target is to set up an ultracold atomic platform generating the plaquette term in two dimensions using only two correlated hoppings, and protecting gauge invariance through angular momentum conservation. The last point we address in the Thesis is related to the analysis of particles moving in static background gauge potentials, i.e. when the considered gauge field has no dynamical term in the action of the system. Indeed, the dynamics of quantum particles in the presence of static gauge fields gives rise to intriguing physical phenomena. In particular, using ultracold atom setups, the realization of artificial gauge potentials can be used to investigate the physics of topological semimetals, such as Weyl or Dirac type. In the last ten years, a lot of attention has been paid to their characterization, due to the appearence of clear theoretical predictions and very well-controlled experimental techniques. We investigate here the relation between topological phase transitions and van Hove singularities, i.e. the discontinuities in the energy derivative of the density of states, in three-dimensional gapless systems. In such materials, topological phase transitions can be defined by changes of the topological invariants of the Fermi sheets, happening at specific singular points. Moreover, Fermi surface singularities result in the presence of the so-called van Hove points. We then present a general argument to relate topological phase transitions and van Hove singularities, and show observable consequences that are related to the transport properties of the system. We exemplify our argument in Weyl systems by analyzing the three-dimensional Hofstadter model for various commensurate fluxes, which offers the opportunity to consider different kinds of Weyl metals and to understand the features of their density of states.
Using eigen-functional bosonization method, we study quantum many-particle systems, and show that the quantum many-particle problems end in to solve the differential equation of the phase fields which represent the particle correlation strength. Thus, the physical properties of these systems are completely determined by the differential equation of the phase fields. We mainly focus on the study of D-dimensional electron gas with/without transverse gauge fields, two-dimensional electron gas under an external magnetic field, D-dimensional boson systems, a D-dimensional Heisenberg model and a one-band Hubbard model on a square lattice, and give their exact (accurate for Heisenberg model) functional expressions of the ground state energy and action, and the eigen-functional wave functions of the fermions/bosons. With them, we can calculate a variety of correlation functions of the systems, such as single particle Green's functions and their ground state wave functions. In present theoretical framework, we can unifiably represent the Landau Fermi liquid, non-Fermi liquid (D≥2) and Tomonaga-Luttinger liquid.
Understanding the fate of many-body quantum physics in the presence of noise is of both practical and fundamental interest. Practically, all quantum systems (especially near-term experiments) are interacting with their environment, and so understanding the role that noise plays is crucial to making predictions of observations. Fundamentally, one can find novel physical phenomena in open systems that exists only out of equilibrium. This motivates trying to get a basic understanding of mixed state phases of matter. This dissertation will be in two parts, linked by the common theme of understanding the dynamics and steady states of open, many-body quantum systems. We will first ask about dissipative state preparation, or thinking about how one can use openness in a quantum system to engineer interesting quantum states. We will present a number of exact solutions for spins, free bosons, and free fermions that have unique properties in the steady state, be they highly entangled or topological in nature. Then, we will discuss their dynamics, and present fundamental limits on the time it takes to prepare highly entangled states under local Markovian channels, and also ways that one can use additional ingredients to evade these bounds. The second part will focus on a novel technique to simulate the dynamics of open spin-1/2 systems whose coupling to the environment will formally make them interacting. This technique relies on encoding the many-body density matrix into a stochastic covariance matrix of the Jordan-Wigner fermions which we show can be sampled from efficiently. We use this technique to uncover rich phenomena outlined in a number of many-body systems, as well as provide certain situations in which the stochastic observables can be analytically re-averaged to get closed form solutions for the entire interacting system.
The study of quantum statistical mechanics begins with a review of the basic principles of quantum mechanics. Schrödinger’s equation is introduced and Eigenstates (or stationary states) are defined. Model probability for quantum statistics is assumed to have a uniform distribution in phases. Wave functions for many-body systems are defined. The density matrix is introduced. The Planck entropy and the microcanonical ensemble are defined. The differences between classical and quantum statistical mechanics are all based on the differing concepts of a microscopic ‘state’. While the classical microscopic state (specified by a point in phase space) determines the exact position and momentum of every particle, the quantum mechanical state determines neither; quantum states can only provide probability distributions for observable quantities.
The study of strongly correlated quantum many-body systems is an outstanding challenge. Highly accurate results are needed for the understanding of practical and fundamental problems in condensed-matter physics, high energy physics, material science, quantum chemistry and so on. Our familiar mean-field or perturbative methods tend to be ineffective. Numerical simulations provide a promising approach for studying such systems. The fundamental difficulty of numerical simulation is that the dimension of the Hilbert space needed to describe interacting systems increases exponentially with the system size. Quantum Monte Carlo (QMC) methods are one of the best approaches to tackle the problem of enormous Hilbert space. They have been highly successful for boson systems and unfrustrated spin models. For systems with fermions, the exchange symmetry in general causes the infamous sign problem, making the statistical noise in the computed results grow exponentially with the system size. This hinders our understanding of interesting physics such as high-temperature superconductivity, metal-insulator phase transition. In this thesis, we present a variety of new developments in the auxiliary-field quantum Monte Carlo (AFQMC) methods, including the incorporation of symmetry in both the trial wave function and the projector, developing the constraint release method, using the force-bias to drastically improve the efficiency in Metropolis framework, identifying and solving the infinite variance problem, and sampling Hartree-Fock-Bogoliubov wave function. With these developments, some of the most challenging many-electron problems are now under control. We obtain an exact numerical solution of two-dimensional strongly interacting Fermi atomic gas, determine the ground state properties of the 2D Fermi gas with Rashba spin-orbit coupling, provide benchmark results for the ground state of the two-dimensional Hubbard model, and establish that the Hubbard model has a stripe order in the underdoped region.