This dissertation describes a theoretical study of strongly correlated electron systems. We present a variational quantum Monte Carlo approach based on matrix-product states, which enables us to naturally extend our work into higher-dimensional tensor-network states as well as to determine the ground state and the low-lying excitations of quasi-onedimensional electron systems. Our results show that the ground state of the quarterilled zigzag electron ladder is expected to exhibit a bond distortion whose pattern is not affected by the electron-electron interaction strength. This dissertation also presents a new method that combines a quantumMonte Carlo technique with a class of tensor-network states. We show that this method can be applied to two-dimensional fermionic or frustrated models that suffer from a sign problem. Monte Carlo sampling over physical states reveals better scaling with the size of matrices under periodic boundary conditions than other types of higher-dimensional tensor-network states, such as projected entangled-pair states, which lead to unfavorable exponential scaling in the matrix size.

The spin structure factor is the dynamical information coming from inelastic neutron scattering. In this work we develop the technology of tensor networks as a numerical tool to be able to compute physical observables reliably for one-dimensional quantum systems. The main technical message of this thesis is that tensor networks provide a controlled way to compute spin structure factors. The algorithms in this thesis are tested on the anisotropic Majumdar--Ghosh model and the results of these simulations are presented and discussed. / Thesis / Master of Science (MSc)

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This thesis is divided into two parts, each part exploring a different topic within the general area of nonlinear algebra. In the first part, we study several applications of tensors. First, we study tensor networks, and more specifically: uniform matrix product states. We use methods from nonlinear algebra and algebraic geometry to answer questions about topology, defining equations, and identifiability of uniform matrix product states. By an interplay of theorems from algebra, geometry, and quantum physics we answer several questions and conjectures posed by Critch, Morton and Hackbusch. In addition, we prove a tensor version of the so-called quantum Wielandt inequality, solving an open problem regarding the higher-dimensional version of matrix product states. Second, we present new contributions to the study of fast matrix multiplication. Motivated by the symmetric version of matrix multiplication we study the plethysm S^k(sl_n) of the adjoint representation sl_n of the Lie group SL_n . Moreover, we discuss two algebraic approaches for constructing new tensors which could potentially be used to prove new upper bounds on the complexity of matrix multiplication. One approach is based on the highest weight vectors of the aforementioned plethysm. The other approach uses smoothable finite-dimensional algebras. Finally, we study the Hessian discriminant of a cubic surface, a recently introduced invariant defined in terms of the Waring rank. We express the Hessian discriminant in terms of fundamental invariants. This answers Question 15 of the 27 questions on the cubic surface posed by Bernd Sturmfels. In the second part of this thesis, we apply algebro-geometric methods to study matroids and flag matroids. We review a geometric interpretation of the Tutte polynomial in terms of the equivariant K-theory of the Grassmannian. By generalizing Grassmannians to partial flag varieties, we obtain a new invariant of flag matroids: the flag-geometric Tutte polynomial. We study this invariant in detail, and prove several interesting combinatorial properties.

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Quantum computers have the potential to solve certain problems in minutes that would otherwise take classical computers thousands of years due to the exponential speed-up certain quantum algorithms have over classical algorithms. In order to leverage such quantum algorithms, it is necessary for them to run on quantum devices. Examples of such devices include, but are not limited to, semiconductor and superconducting qubits, and semiconductor single and entangled photon emitters. The conventional method of constructing a semiconductor qubit is to apply gates on a semiconductor surface to localize electrons, where the electronic spin states are mapped to a qubit basis. Examples of this include the spin qubit where the spin-1/2 states of a single electron is the qubit basis and the gated singlet-triplet qubit where the states of two coupled electrons are mapped to a qubit basis. In general, gated semiconductor spin qubits are subject to decoherence from the environment which alters the electronic wavefunction by entanglement with the nuclear spins and phonons in the lattice compromising the stability of the qubit. Semiconductor nanostructures can also be designed as photon emitters. Self-assembled quantum dots are an example of such nanostructures and have been shown to emit single photons through exciton recombination and entangled photons through biexciton-exciton cascade. The difficulty in designing photon sources using self-assembled quantum dots is that the size and shape varies from dot to dot, implying that the electronic and magnetic properties also vary. In this thesis, I present the design of a single photon emitter using an InAsP quantum dot embedded in an InP nanowire and the design of a singlet-triplet qubit that is topologically protected from decoherence using an array of such quantum dots embedded in an InP nanowire. The advantage of using quantum dot nanowires over self-assembled quantum dots as photon emitters is that the quantum dot thickness, radius and composition can be controlled deterministically using a technique known as vapour-liquid-solid epitaxy which allows the emission spectrum to be engineered. Using a microscopic model, I simulated an InAsP quantum dot embedded in a nanowire with upwards of millions of atoms and showed that the emission spectrum came in agreement with the actual InAsP/InP quantum dot nanowires that were fabricated at the National Research Council of Canada. Moreover, I showed that altering the distribution of As atoms in the quantum dot can cause dramatic change in the emission spectrum. For the design of the topologically protected singlet-triplet qubit, I demonstrated that the ground state of an array of such quantum dots embedded in an InP nanowire, with four electrons in each dot, is four-fold degenerate and is topologically protected from higher energy states, making the ground state robust against perturbations. This state is known as the Haldane phase and can be understood in terms of two spin-1/2 quasiparticles at each edge of the array. Though the spectral gap in my simulation was of the order of 1 meV, this work provides insight into the potential design of a room temperature operating Haldane qubit where the spectral gap is of the order of room temperature.

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Orientador: Marcos Cesar de Oliveira / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Made available in DSpace on 2018-09-24T17:07:35Z (GMT). No. of bitstreams: 1 Oliveira_ThiagoRodriguesde_D.pdf: 2410853 bytes, checksum: 48f52d2d48ef1be2ecb155881b8e16df (MD5) Previous issue date: 2008 / Resumo: Esta dissertação tenta contribuir ao entendimento das possíveis interconexões entre a Teoria de Informação Quântica e Matéria Condensada, um novo campo de pesquisa em amplo desenvolvimento. Mais especificamente, investigamos o papel do emaranhamento, ou correlações quânticas, em transições de fase quânticas contínuas. Enquanto o papel do primeiro na Teoria de Informação dispensa apresentação, as últimas são de grande interesse por exibir um comportamento universal, o qual se origina na divergência de um comprimento de correlação. É esta origem mútua em correlações de ambos os fenômenos que cria uma expectativa de uma possível relação entre estes. Nosso trabalho, embasado no estudo do modelo XY unidimensional em um campo transverso, aponta evidências de um favorecimento do emaranhamento multipartite em detrimento do bipartite na transição, e assim da importância do primeiro no estabelecimento de correlações de longo alcance. Nessa tarefa, acabamos por definir uma classe de medidas de emaranhamento multipartite, generalizando o Emaranhamento Global introduzido por Meyer e Wallach em2002. Mostramos que algumas destas classes provêem informações adicionais à do Emaranhamento Global, além de serem escritas de forma simples em termos de funções de correlação. Tal simplicidade permite o estabelecimento de uma relação formal entre uma dessas classes e transições de fase sinalizadas por divergências na energia. Ao final estudamos o papel da quebra de simetria no emaranhamento bipartite e multipartite, evidenciando, uma vez mais, a maior importância do último em relação ao primeiro. Em uma segunda parte, examinamos o uso de estados de produtos de matrizes na aproximação de estados fundamentais de sistemas críticos. Estes estados podem ser vistos como o ansatz utilizado no Grupo de Renormalização de Matriz Densidade (DMRG), quando este é encarado como um método variacional. Analisando o poder de aproximação de tais estados, agora no modelo de Ising, descobrimos que a "dimensão" do ansatz (ou número de graus de liberdade renormalizados) é uma variável relevante do grupo de renormalização de maneira análoga ao tamanho finito do sistema. Isto possibilita uma análise de escala em relação a essa "dimensão" dos estados de produto de matrizes, com uma possível obtenção de propriedades críticas a baixo custo computacional / Abstract: This thesis attempts to contribute to the understanding of possible connections between Quantum Information and Condensed Matter theories, a new field of research in broad development. Specifically, we investigated the role of entanglement, or quantumcorrelations, in continuous quantum phase transitions. While the importance of the first in the theory of Quantum Information is well known dispense presentation, the latter are of great interest as they exhibit a universal behavior, which descent fromthe divergence of the correlation length. This mutual origin of both in correlations is what creates an expectation of a possible link between them. Our work, based on the study of XY dimensional model in a transverse field, brings evidence of multipartite entanglement being favored, in detriment of bipartite in the transition, and thus in the importance of the first in the establishment of long-range correlations. During our journey, we define a class of measures of multipartite entanglement, generalising the Global Entanglement introduced by Meyer and Wallach in 2002. We show that some of these classes provide additional information to the Global Entanglement, as well as being written in a simple way in terms of correlation functions . This simplicity allows the establishment of a formal relationship between those classes and phases transitions marked by non-analycities in the energy. At the end, we studied the role of spontaneous symmetry breaking in the bipartite and multipartite entanglement, demonstrating once again a major role of the last over the first. In a second part, we examine the use of Matrix Product States to approximate ground states of critical systems. This class of states can be seen as the ansatz used in the Density Matrix Renormalization Group (DMRG), when this one is understood as a variational method. Analyzing the power of approximation of these states, now in Ising model, we found that the "dimension" of the ansatz (or number of renormalized degrees of freedom) is a relevant variable in the renormalization group, in a analogous way to the finite size of the system. This enables an analysis of scaling regarding the "size" of Matrix Product States, with a possible acquisition of critical properties at low computation cost / Doutorado / Física da Matéria Condensada / Doutor em Ciências

Light-harvesting in nature is known to work differently than conventional man-made solar cells. Recent studies found electronic excitations, delocalised over several chromophores, and a soft, vibrating structural environment to be key schemes that might protect and direct energy transfer yielding increased harvest efficiencies even under adversary conditions. Unfortunately, testing realistic models of noise assisted transport at the quantum level is challenging due to the intractable size of the environmental wave function. I developed a powerful tree tensor network states (TTNS) method that finds an optimally compressed explicit representation of the combined electronic and vibrational quantum state. With TTNS it is possible to simulate exciton-phonon quantum dynamics from small molecules to larger complexes, modelled as an open quantum system with multiple bosonic environments. After benchmarking the method on the minimal spin-boson model by reproducing ground state properties and dynamics that have been reported using other methods, the vibrational quantum state is harnessed to investigate environmental dynamics and its correlation with the spin system. To enable simulations of realistic non-Born-Oppenheimer molecular quantum dynamics, a clustering algorithm and novel entanglement renormalisation tensors are employed to interface TTNS with ab initio density functional theory (DFT). A thereby generated model of a pentacene dimer containing 252 vibrational normal modes was simulated with TTNS reproducing exciton dynamics in agreement with experimental results. Based on the environmental state, the (potential) energy surfaces, underlying the observed singlet fission dynamics, were calculated yielding unprecedented insight into the super-exchange mediated avoided crossing mechanism that produces ultrafast and high yield singlet fission. This combination of DFT and TTNS is a step towards large scale material exploration that can accurately predict excited states properties and dynamics. Furthermore, application to biomolecular systems, such as photosynthetic complexes, may give valuable insights into novel environmental engineering principles for the design of artificial light-harvesting systems.

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