Many problems in applied mathematics and physics are formulated most naturally in terms of matrices, and can be solved by computing functions of these matrices. For example, in quantum mechanics, the coherent dynamics of physical systems is described by the matrix exponential of their Hamiltonian. In state of the art experiments, one can now observe such unitary evolution of many-body systems, which is of fundamental interest in the study of many-body quantum phenomena. On the other hand the theoretical simulation of such non-equilibrium many-body dynamics is very challenging. In this thesis, we develop a symbolic approach to matrix functions and quantum dynamics based on a novel algebraic structure we identify for sets of walks on graphs. We begin by establishing the graph theoretic equivalent to the fundamental theorem of arithmetic: all the walks on any finite digraph uniquely factorise into products of prime elements. These are the simple paths and simple cycles, walks forbidden from visiting any vertex more than once. We give an algorithm that efficiently factorises individual walks and obtain a recursive formula to factorise sets of walks. This yields a universal continued fraction representation for the formal series of all walks on digraphs. It only involves simple paths and simple cycles and is thus called a path-sum. In the second part, we recast matrix functions into path-sums. We present explicit results for a matrix raised to a complex power, the matrix exponential, matrix inverse, and matrix logarithm. We introduce generalised matrix powers which extend desirable properties of the Drazin inverse to all powers of a matrix. In the third part, we derive an intermediary form of path-sum, called walk-sum, relying solely on physical considerations. Walk-sum describes the dynamics of a quantum system as resulting from the coherent superposition of its histories, a discrete analogue to the Feynman path-integrals. Using walk-sum we simulate the dynamics of quantum random walks and of Rydberg-excited Mott insulators. Using path-sum, we demonstrate many-body Anderson localisation in an interacting disordered spin system. We give two observable signatures of this phenomenon: localisation of the system magnetisation and of the linear magnetic response function. Lastly we return to the study of sets of walks. We show that one can construct as many representations of series of walks as there are ways to define a walk product such that the factorisation of a walk always exist and is unique. Illustrating this result we briefly present three further methods to evaluate functions of matrices. Regardless of the method used, we show that graphs are uniquely characterised, up to an isomorphism, by the prime walks they sustain.
Many problems in applied mathematics and physics are formulated most naturally in terms of matrices, and can be solved by computing functions of these matrices. For example, in quantum mechanics, the coherent dynamics of physical systems is described by the matrix exponential of their Hamiltonian. In state of the art experiments, one can now observe such unitary evolution of many-body systems, which is of fundamental interest in the study of many-body quantum phenomena. On the other hand the theoretical simulation of such non-equilibrium many-body dynamics is very challenging. In this thesis, we develop a symbolic approach to matrix functions and quantum dynamics based on a novel algebraic structure we identify for sets of walks on graphs. We begin by establishing the graph theoretic equivalent to the fundamental theorem of arithmetic: all the walks on any finite digraph uniquely factorise into products of prime elements. These are the simple paths and simple cycles, walks forbidden from visiting any vertex more than once. We give an algorithm that efficiently factorises individual walks and obtain a recursive formula to factorise sets of walks. This yields a universal continued fraction representation for the formal series of all walks on digraphs. It only involves simple paths and simple cycles and is thus called a path-sum. In the second part, we recast matrix functions into path-sums. We present explicit results for a matrix raised to a complex power, the matrix exponential, matrix inverse, and matrix logarithm. We introduce generalised matrix powers which extend desirable properties of the Drazin inverse to all powers of a matrix. In the third part, we derive an intermediary form of path-sum, called walk-sum, relying solely on physical considerations. Walk-sum describes the dynamics of a quantum system as resulting from the coherent superposition of its histories, a discrete analogue to the Feynman path-integrals. Using walk-sum we simulate the dynamics of quantum random walks and of Rydberg-excited Mott insulators. Using path-sum, we demonstrate many-body Anderson localisation in an interacting disordered spin system. We give two observable signatures of this phenomenon: localisation of the system magnetisation and of the linear magnetic response function. Lastly we return to the study of sets of walks. We show that one can construct as many representations of series of walks as there are ways to define a walk product such that the factorisation of a walk always exist and is unique. Illustrating this result we briefly present three further methods to evaluate functions of matrices. Regardless of the method used, we show that graphs are uniquely characterised, up to an isomorphism, by the prime walks they sustain.
A continuous time quantum walk consists of a particle moving among the vertices of a graph G. Its movement is governed by the structure of the graph. More formally, the adjacency matrix A is the Hamiltonian that determines the movement of our particle. Quantum walks have found a number of algorithmic applications, including unstructured search, element distinctness and Boolean formula evaluation. We will examine the properties of periodicity and state transfer. In particular, we will prove a result of the author along with Godsil, Kirkland and Severini, which states that pretty good state transfer occurs in a path of length n if and only if the n+1 is a power of two, a prime, or twice a prime. We will then examine the property of strong cospectrality, a necessary condition for pretty good state transfer from u to v. \n \nWe will then consider quantum walks involving more than one particle. In addition to moving around the graph, these particles interact when they encounter one another. Varying the nature of the interaction term gives rise to a range of different behaviours. We will introduce two graph invariants, one using a continuous-time multi-particle quantum walk, and the other using a discrete-time quantum walk. Using cellular algebras, we will prove several results which characterize the strength of these two graph invariants. \n \nLet A be an association scheme of n × n matrices. Then, any element of A can act on the space of n × n matrices by left multiplication, right multiplication, and Schur multiplication. The set containing these three linear mappings for all elements of A generates an algebra. This is an example of a Jaeger algebra. Although these algebras were initially developed by Francois Jaeger in the context of spin models and knot invariants, they prove to be useful in describing multi-particle walks as well. We will focus on triply-regular association schemes, proving several new results regarding the representation of their Jaeger algebras. As an example, we present the simple modules of a Jaeger algebra for the 4-cube.
In this thesis, the numerical simulation of strongly-interacting many-body quantum-mechanical systems using matrix product states (MPS) is considered. Compared to classical systems, quantum many-body systems possess an exponentially enlarged number of degrees of freedom, significantly complicating a simulation on a classical computer. Matrix-Product-States are a novel representation of arbitrary quantum many-body states. Using quantum information theory, it is possible to show that Matrix-Product-States provide a polynomial-sized representation of one-dimensional quantum systems, thus allowing an efficient simulation of one-dimensional quantum system on classical computers. Matrix-Product-States form the conceptual framework of the density-matrix renormalization group (DMRG). Based upon this connection, deeper understanding of the density matrix renormalization group can be obtained. After a general introduction in the first chapter of this thesis, the second chapter deals with Matrix-Product-States, focusing on the development of fast and stable algorithms. It is possible to extend the Matrix-Product-States approach to be able to represent arbitrary operators, the so-called Matrix-Product-Operators, which allows a fast and flexible calculation of arbitrary expectation values. To obtain algorithms to efficiently calculate groundstates, the density-matrix renormalization group is reformulated using the Matrix-Product-States framework. Further, time-dependent problems are considered. Two different algorithms are presented, one based on a Trotter decomposition of the time-evolution operator, the other one on Krylov subspaces. Finally, the evaluation of dynamical spectral functions is discussed, and a correction vector-based method is presented. In the following chapters, the methods presented in the second chapter, are applied to a number of different physical problems. The third chapter deals with the existence of chiral phases in isotropic one-dimensional quantum spin systems. A preceding analytical study based on a mean-field approach indicated the possible existence of those phases in an isotopic Heisenberg model with a frustrating zig-zag interaction and a magnetic field. In this thesis, the existence of the chiral phases will be shown numerically by using Matrix-Product-States-based algorithms. A key effect of interacting one-dimensional quantum-mechanical many-body systems is the spin-charge separation. However, up to now only signs of the spin-charge separation have been observed in experiments. In the fourth chapter, we propose an experiment using ultracold atomic gases in optical lattices, which allows a well controlled observation of the spin-charge separation (of different hyperfine states of the ultracold atoms) with current state of the art experimental techniques. Ultracold atoms in optical lattices are well described by (Bose)-Hubbard models. In order to support this proposal, we present numerical results for realistic system parameters. Matrix-Product-States are an excellent tool for the simulation of one-dimensional quantum systems, however, they are not well suited for the simulation of higher dimensional systems. For strongly-correlated systems, for instance cuprates-based high-temperature superconductors, quantum fluctuations play an essential role. Classical mean-field theories neglect any kind of fluctuations, thus they are not suitable to describe strongly-correlated systems. The dynamical mean-field theory (DMFT) fully takes local quantum fluctuations into account but neglects any kind of spatial fluctuations. The many-body problem on the lattice is mapped onto an impurity problem, which needs to be solved self-consistently. In the last chapter of this thesis, Matrix-Product-States-based algorithms are used to solve the impurity problem of the dynamical mean-field theory. We present results for a Hubbard model on a one-dimensional lattice and on a Bethe lattice obtained by the dynamical mean-field and compare them with exact results.
This thesis is concerned with many-body quantum dynamics in lattice models. Our focus is on the spectral properties of Floquet operators that describe local interactions in one dimension. Physical properties are expressed as multiple sums over paths in the many-body Fock space, and this leads naturally to interpretations in terms of interference effects, or of paired paths. By averaging properties over ensembles of random systems we wash out non-universal interference effects, and study the structures which survive. We first address the ergodic phase of quantum dynamics. In this setting random matrix theory (RMT) and the eigenstate thermalisation hypothesis (ETH) are expected to describe spectral properties. This can be understood through the diagonal approximation to sums over paired paths. We show how the diagonal approximation must be extended in systems with local interactions, and that as a result there are deviations from RMT and the ETH which, at finite times, diverge with system size. Our focus is primarily on the spectral form factor (SFF) and related quantities, and our approach is to express averaged sums over pairs of paths in terms of a transfer matrix that acts in the space direction. We then show how, within this framework, the transition from a many-body localised (MBL) phase to an ergodic one can be viewed as symmetry breaking. This transition in dynamics has sharp signatures in spectral statistics, so it is natural to consider the SFF. The transfer matrix generating the SFF has symmetries associated with translations in time: in the ergodic phase one of these symmetries is broken, whereas in the MBL phase it is not. For the Floquet models we consider the relevant symmetry group is that of a clock model. We introduce an order parameter for the broken symmetry, and show how the applicability of the diagonal approximation can be understood as a form of long-range order.
Random walks are a powerful tool for the efficient implementation of algorithms in classical computation. Their quantum-mechanical analogues, called quantum walks, hold similar promise. Quantum walks provide a model of quantum computation that has recently been shown to be equivalent in power to the standard circuit model. As in the classical case, quantum walks take place on graphs and can undergo discrete or continuous evolution, though quantum evolution is unitary and therefore deterministic until a measurement is made. This thesis considers the usefulness of continuous-time quantum walks to quantum computation from the perspectives of both their fundamental power under various formulations, and their applicability in practical experiments. In one extant scheme, logical gates are effected by scattering processes. The results of an exhaustive search for single-qubit operations in this model are presented. It is shown that the number of distinct operations increases exponentially with the number of vertices in the scattering graph. A catalogue of all graphs on up to nine vertices that implement single-qubit unitaries at a specific set of momenta is included in an appendix. I develop a novel scheme for universal quantum computation called the discontinuous quantum walk, in which a continuous-time quantum walker takes discrete steps of evolution via perfect quantum state transfer through small `widget' graphs. The discontinuous quantum-walk scheme requires an exponentially sized graph, as do prior discrete and continuous schemes. To eliminate the inefficient vertex resource requirement, a computation scheme based on multiple discontinuous walkers is presented. In this model, n interacting walkers inhabiting a graph with 2n vertices can implement an arbitrary quantum computation on an input of length n, an exponential savings over previous universal quantum walk schemes. This is the first quantum walk scheme that allows for the application of quantum error correction. The many-particle quantum walk can be viewed as a single quantum walk undergoing perfect state transfer on a larger weighted graph, obtained via equitable partitioning. I extend this formalism to non-simple graphs. Examples of the application of equitable partitioning to the analysis of quantum walks and many-particle quantum systems are discussed.
This PhD thesis is dedicated to the study of the interplay between symmetries of quantum states and their self-similar properties. It consists of three connected threads of research: polynomial invariants for multiphoton states, visualization schemes for quantum many-body systems and a complex networks approach to quantum walks on a graph. First, we study the problem of which many-photon states are equivalent up to the action of passive linear optics. We prove that it can be converted into the problem of equivalence of two permutation-symmetric states, not necessarily restricted to the same operation on all parties. We show that the problem can be formulated in terms of symmetries of complex polynomials of many variables, and provide two families of invariants, which are straightforward to compute and provide analytical results. Second, we study a family of recursive visualization schemes for many-particle systems, for which we have coined the name 'qubism'. While all many-qudit states can be plotted with qubism, it is especially useful for spin chains and one-dimensional translationally invariant states. This symmetry results in self-similarity of the plot, making it more comprehensible and allowing to discover certain structures. Third, we study quantum walks of a single particle on graphs, which are classical analogues of random walks. Our focus is on the long-time limit of the probability distribution and we study how (especially in the long-time limit) off-diagonal elements of the density matrix behave. We use them to perform quantum community detection - splitting of a graph into subgraphs in such a way that the coherence between them is small. Our method captures properties that classical methods cannot - the impact of constructive and destructive interference, as well as the dependence of the results on the tunneling phase.
Experimental advances have made it possible to realize and control quantum many-body systems, allowing the experimental study of non-equilibrium phenomena. Due to the Hilbert space growing exponentially with the number of particles, advanced numerical techniques are usually required to understand many-body effects at the theoretical level. In this thesis, we address the question of how to efficiently simulate the non-equilibrium dynamics of many-body systems using matrix product states (MPS). In particular, we consider quantum systems in interaction with macroscopic environments, as they appear in Anderson impurity problems, quantum thermodynamics, or open quantum systems. We develop a low-entanglement representation of the environment with only short-range interactions, perfectly suitable for simulations with MPS. We further show that an interleaved ordering of tight-binding chains can significantly reduce the creation of entanglement, as opposed to an intuitive implementation of the Hamiltonian's geometry. Our approach allows long-time simulations and an analysis of the environmental dynamics, in which, after a sudden quench, we find clear signatures of many-body effects. We employ our techniques to compute spectral functions of impurity models, with possible applications to dynamical mean-field theory impurity solvers, and to calculate dissipation in the non-equilibrium Anderson model with explicit time-dependence, as relevant for ongoing experiments with oscillating tip atomic force microscopes.