We investigate the simulations of the the Schrödinger equation using the onedimensional quantum lattice Boltzmann (QLB) scheme and the irregular behaviour of solution. We isolate error due to approximation of the Schrödinger solution with the non-relativistic limit of the Dirac equation and numerical error in solving the Dirac equation. Detailed analysis of the original scheme showed it to be first order accurate. By discretizing the Dirac equation consistently on both sides we derive a second order accurate QLB scheme with the same evolution algorithm as the original and requiring only a one-time unitary transformation of the initial conditions and final output. We show that initializing the scheme in a way that is consistent with the non-relativistic limit supresses the oscillations around the Schrödinger solution. However, we find the QLB scheme better suited to simulation of relativistic quantum systems governed by the Dirac equation and apply it to the Klein paradox. We reproduce the quantum tunnelling results of previous research and show second order convergence to the theoretical wave packet transmission probability. After identifying and correcting the error in the multidimensional extension of the original QLB scheme that produced asymmetric solutions, we expand our second order QLB scheme to multiple dimensions. Next we use the QLB scheme to simulate Klein tunnelling of massless charge carriers in graphene, compare with theoretical solutions and study the dependence of charge transmission on the incidence angle, wave packet and potential barrier shape. To do this we derive a representation of the Dirac-like equation governing charge carriers in graphene for the one-dimensional QLB scheme, and derive a two-dimensional second order graphene QLB scheme for more accurate simulation of wave packets. We demonstrate charge confinement in a graphene device using a configuration of multiple smooth potential barriers, thereby achieving a high ratio of on/off current with potential application in graphene field effect transistors for logic devices. To allow simulation in magnetic or pseudo-magnetic fields created by deformation of graphene, we expand the scheme to include vector potentials. In addition, we derive QLB schemes for bilayer graphene and the non-linear Dirac equation governing Bose-Einstein condensates in hexagonal optical lattices.

No description available.

O processamento de informação quântica requer medidas, muitas vezes precedidas devoluções unitárias. Uma descrição realista de um computador quântico também deve levar em conta que o sistema interage com um ambiente externo - distinto do observador - que o remove de sua evolução ideal, gerando erros. Neste trabalho, fazemos um estudo da dinâmica de sistemas quânticos observados múltiplas vezes ou continuamente, enquanto interagem com ambientes externos. Para tanto, empregamos uma equação mestra híbrida, que permite modelar uma interação contínua e markoviana do sistema com o medidor, enquanto o ruído do ambiente apresenta características não markovianas. O estudo da dinâmica de uma medida contínua ruidosa revela que o sistema melhor preserva suas populações iniciais quando é realizada a medida de uma observável que não comuta com os operadores do ruído produzido pelo ambiente. Estes resultados, já conhecidos para o caso simples de um qubit de memória interagindo com o vácuo, são generalizados para uma temperatura inicial superior a zero e para um qubit submetido a uma porta quântica. A universalidade destes fenômenos de preservação da população inicial permite fazer analogia com o efeito Zenão quântico. Mantendo o mesmo formalismo, mas adaptando a interação com o ambiente para descrever um decaimento verificamos que o efeito Zenão quântico é observado para acoplamentos fracos com o ambiente. Tratamos também de como tal conhecimento sobre a preservação das populações pela medida auxilia na elaboração de melhores formas de preservar a informação em códigos quânticos. Com o auxílio da teoria das medidas fracas, propomos um possível método experimental simples para o teste da validade dos modelos de descrição de medidas contínuas. Com este estudo da dinâmica de uma medida quântica, esperamos elucidar questões de ordem prática no processamento de informação quântica, assim como ajudar no melhor entendimento de questões fundamentais, como o postulado da medida. / The processing of quantum information requires measurements, often preceded by unitary evolutions. A faithful description of a quantum computer should also take into account that the system interacts with an external environment - other than the observer - that removes it from its ideal evolution, causing errors. Here, we study the dynamics of quantum systems observed multiple times or continuously, while they interact with external environments. To do this, we employ a hybrid master equation, which allows us to model a continuous, Markovian interaction between the system and the measurement apparatus, while the environmental noise presents non-Markovian features. This study of the dynamics of the noisy continuous measurement reveals that the system better preserves its initial populations when the observable measured does not commute with the environmental noise operators. These results, already known for the simpler case of a memory qubit interacting with vacuum, are generalized for an initial temperature above zero and a qubit undergoing a quantum gate. The universality of these phenomena of preservation of the initial populations allows an analogy with the Quantum Zeno Effect. Keeping the same formalism, but adapting the environmental interaction to describe a decay, we verify that the quantum Zeno effect is observed for weak coupling with the environment. We also deal with how the knowledge about the preservation of the populations by the measurement helps in creating better ways to preserve the information in quantum codes. With the help of the weak measurement theory, we propose a simple experimental method to test the validity of models that describe a continuous measurement. With this study of the dynamics of a quantum measurement, we hope to help solve practical issues in quantum information processing, as well as provide greater insight into fundamental questions, such as the measurement postulate.

Ce manuscrit se décompose en deux parties principales, associées à deux types d'applications assez différentes. Dans la première partie qui comprend les deux premiers chapitres, je m'intéresse à des systèmes issus de problèmes de contrôle et d'estimation en physique quantique; dans la deuxième partie (troisième chapitre du manuscrit), j'étudie la propagation d'ondes électriques le long des fils classiques dans un réseau de lignes de transmission et je considère certains problèmes d'estimation de paramètres. Dans le premier chapitre nous étudions le problème de la planification de trajectoires pour des systèmes quantiques fermés modélisés par des équations de Schrödinger bilinéaire. Nous démontrons alors des résultats de la stabilisation approchée pour le cas d'une boite quantique infinie ainsi que pour le cas d'un potentiel décroissant. Dans les deux cas, le manque de pré-compacité des trajectoires dans des espaces fonctionnels appropriés nous oblige à proposer des méthodes de Lyapunov qui évitent des phénomènes de perte de masse à l'infini. Dans le deuxième chapitre nous étudions le problème de stabilisation de systèmes quantiques en observation. Cette observation nécessite l'ouverture du système à son environnement. Les modèles pertinents pour l'évolution de ce type de systèmes sont des modèles stochastiques basés sur des trajectoires de Monte-Carlo quantiques. Nous étudions alors certains problèmes de stabilisation qui parviennent de vraies expériences physiques. Enfin, dans le chapitre 3 nous considérons le problème d'estimation de paramètres pour un réseau de fils de câblage électrique. Dans ce but, nous étudions deux approches : l'approche temporelle et l'approche fréquentielle. Dans l'approche temporelle, nous considérons le réseau le plus simple qui consiste d'une seule ligne de transmission et nous proposons un algorithme d'identification pour l'équation d'onde associé qui est basé sur l'application des observateurs asymptotiques. Dans l'approche fréquentielle, nous considérons un réseau plus compliqué de la forme étoile. Nous proposons alors des résultats d'identifiabilité basés sur des techniques de l'inverse scattering.

In the first part of the dissertation, we develop a theoretical approach to analyze nonlinear spectroscopy experiments based on the formalism of quantum state (QST) and process tomography (QPT). In it, a quantum system is regarded as a black box which can be systematically tested in its performance, very much like an electric circuit is tested by sending a series of inputs and measuring the corresponding outputs, but in the quantum sense. We show how to collect a series of pump-probe or photon-echo experiments, and by varying polarizations and frequency components of the perturbations, reconstruct the quantum state (density matrix) of the probed system for a set of different initial conditions, hence simultaneously achieving QST and QPT. Furthermore, we establish the conditions under which a set of two-dimensional optical spectra also yield the desired results. Simulations of noisy experiments with inhomogeneous broadening show the feasibility of the protocol. A spin-off of this work is our suggestion of a witness that distinguishes between spectroscopic time-oscillations corresponding to vibronic only coherences against their electronic counterparts. We conclude by noting that the QST/QPT approach to nonlinear spectroscopy sheds light on the amount of quantum information contained in the output of an experiment, and hence, is a convenient theoretical and experimental paradigm even when the goal is not to perform a full QPT. In the second part of the thesis, we discuss a methodology to study the electronic dynamics of complex molecular systems, such as photosynthetic units, in the framework of time-dependent density functional theory (TD-DFT). By treating the electronic degrees of freedom as the system and the nuclear ones as the bath, we develop an open quantum systems (OQS) approach to TD-DFT. We formally extend the theoretical backbone of TD-DFT to OQS, and suggest a Markovian bath functional which can be readily included in electronic structure codes.

Made available in DSpace on 2016-06-02T20:15:26Z (GMT). No. of bitstreams: 1 4780.pdf: 9997745 bytes, checksum: 24a1f1c6cc3ce4ef4b6ac0cc5009255c (MD5) Previous issue date: 2013-01-11 / Universidade Federal de Sao Carlos / In this thesis, we study the behavior of Quantum Discord in the contexts of open quantum systems and spin chains. Furthermore, we investigate the thermalization process of a spin chain due to interaction with the environment. First, we present a review on the concept of quantum correlation, beginning with the first ideas on non-locality, and leading to the measure of quantum correlations called Quantum Discord. Afterwards, we study the dynamics of the quantum correlations between two non-interacting qubits coupled to Markovian and non- Markovian thermal reservoirs. In the context of spin chains, we investigate the behavior of quantum correlations at finite temperatures, starting with a system composed of two interacting spins, described by XYZ model, in order to generalize this study to the case of infinite unidimensional spin chains, described by XY and XXZ models. In this context, we investigate the relationship between quantum correlations and quantum phase transitions present in these two models. We conclude this thesis with a study of the thermalization process of two interacting spins weakly coupled to independent bosonic thermal reservoirs, or to a single collective reservoir, besides presenting some results for larger systems, composed of an arbitrary number of spins. / Nesta tese estudamos o comportamento da Discórdia Quântica nos contextos de sistemas quânticos abertos e cadeias de spins. Além disso, investigamos também o processo de termalização de uma cadeia de spins sujeita a interação com o meio-ambiente. Primeiramente, apresentamos uma revisão do conceito de correlação quântica, partindo das ideias iniciais sobre não-localidade e tendo como ponto final a medida de correlações quânticas denominada Discórdia Quântica. Posteriormente, estudamos a dinâmica das correlações quânticas entre dois qubits não-interagentes acoplados a reservatórios térmicos markovianos e não-markovianos. No contexto de cadeias de spins, investigamos o comportamento das correlações quânticas a temperaturas finitas, começando com um sistema formado por dois spins interagentes, descrito pelo modelo XYZ para, em seguida, generalizar este estudo para o caso de cadeias de spins unidimensionais infinitas, descritas pelos modelos XY e XXZ. Neste contexto, investigamos a relação entre as correlações quânticas e as transições de fase quânticas presentes nestes dois modelos. Finalizamos esta tese com um estudo sobre o processo de termalização de dois spins interagentes fracamente acoplados a reservatórios térmicos bosônicos independentes ou um único reservatório coletivo, além de apresentar alguns resultados referentes a sistemas maiores, formados por um número arbitrário de spins.

Made available in DSpace on 2016-06-02T20:16:53Z (GMT). No. of bitstreams: 1 6362.pdf: 1897034 bytes, checksum: c83efb3252adeb24e85652c3a2f8240c (MD5) Previous issue date: 2014-08-26 / Universidade Federal de Sao Carlos / We are interested in understanding the process of Markovian thermalization in quantum systems when we have one or two qubits interacting with a quantum electromagnetic field mode, using the Rabi model, in situations where there is interaction with a reservoir modeling the environment surrounding the system. This analysis of the thermalization is based on the calculation of the eigenvalues of the Liouvillian of the Markovian master equation. We will focus mainly on situations where there is interaction with independent and collective reservoirs, for cases where the subsystems interact with reservoirs at T=0K and T >0K. We investigate situations where there is no thermalization of the system and how this may influence interesting physical properties, such as the statistical properties of the field in the ultra strong scheme using the theory of input-output and quantum correlations between qubits collectively interacting with Markovian reservoirs. / Estamos interessados em entender o processo de termalização em sistemas quânticos markovianos, quando temos um ou dois qubits interagindo com um modo quântico do campo eletromagnético, utilizando o modelo de Rabi, em situações onde há interação com estruturas de reservatório que modelam o ambiente que cerca o sistema. Essa análise da termalização é baseada no cálculo dos autovalores do liouvilliano da equação mestra markoviana. Iremos focar principalmente nas situações onde há interação com reservatórios independentes e coletivos, para casos onde o subsistema interage com reservatórios a T=0K e T >0K. Investigamos situações onde há termalização ou não do sistema e como esse fator pode influenciar nas propriedades físicas interessantes, como, por exemplo, a estatística de detecção de fótons no regime ultra forte utilizando a teoria de entrada e saída e correlações quânticas entre os qubits interagindo com reservatórios markovianos.

O processamento de informação quântica requer medidas, muitas vezes precedidas devoluções unitárias. Uma descrição realista de um computador quântico também deve levar em conta que o sistema interage com um ambiente externo - distinto do observador - que o remove de sua evolução ideal, gerando erros. Neste trabalho, fazemos um estudo da dinâmica de sistemas quânticos observados múltiplas vezes ou continuamente, enquanto interagem com ambientes externos. Para tanto, empregamos uma equação mestra híbrida, que permite modelar uma interação contínua e markoviana do sistema com o medidor, enquanto o ruído do ambiente apresenta características não markovianas. O estudo da dinâmica de uma medida contínua ruidosa revela que o sistema melhor preserva suas populações iniciais quando é realizada a medida de uma observável que não comuta com os operadores do ruído produzido pelo ambiente. Estes resultados, já conhecidos para o caso simples de um qubit de memória interagindo com o vácuo, são generalizados para uma temperatura inicial superior a zero e para um qubit submetido a uma porta quântica. A universalidade destes fenômenos de preservação da população inicial permite fazer analogia com o efeito Zenão quântico. Mantendo o mesmo formalismo, mas adaptando a interação com o ambiente para descrever um decaimento verificamos que o efeito Zenão quântico é observado para acoplamentos fracos com o ambiente. Tratamos também de como tal conhecimento sobre a preservação das populações pela medida auxilia na elaboração de melhores formas de preservar a informação em códigos quânticos. Com o auxílio da teoria das medidas fracas, propomos um possível método experimental simples para o teste da validade dos modelos de descrição de medidas contínuas. Com este estudo da dinâmica de uma medida quântica, esperamos elucidar questões de ordem prática no processamento de informação quântica, assim como ajudar no melhor entendimento de questões fundamentais, como o postulado da medida. / The processing of quantum information requires measurements, often preceded by unitary evolutions. A faithful description of a quantum computer should also take into account that the system interacts with an external environment - other than the observer - that removes it from its ideal evolution, causing errors. Here, we study the dynamics of quantum systems observed multiple times or continuously, while they interact with external environments. To do this, we employ a hybrid master equation, which allows us to model a continuous, Markovian interaction between the system and the measurement apparatus, while the environmental noise presents non-Markovian features. This study of the dynamics of the noisy continuous measurement reveals that the system better preserves its initial populations when the observable measured does not commute with the environmental noise operators. These results, already known for the simpler case of a memory qubit interacting with vacuum, are generalized for an initial temperature above zero and a qubit undergoing a quantum gate. The universality of these phenomena of preservation of the initial populations allows an analogy with the Quantum Zeno Effect. Keeping the same formalism, but adapting the environmental interaction to describe a decay, we verify that the quantum Zeno effect is observed for weak coupling with the environment. We also deal with how the knowledge about the preservation of the populations by the measurement helps in creating better ways to preserve the information in quantum codes. With the help of the weak measurement theory, we propose a simple experimental method to test the validity of models that describe a continuous measurement. With this study of the dynamics of a quantum measurement, we hope to help solve practical issues in quantum information processing, as well as provide greater insight into fundamental questions, such as the measurement postulate.

Cette thèse est consacrée à l’étude des trajectoires quantiques issues de la théorie desmesures continues en mécanique quantique non relativiste. On y présente de nouveaux résultatsthéoriques ainsi que des exemples d’applications. Sur le front théorique, on étudie principalementla limite de mesure «forte» dans laquelle on met en évidence l’émergence de sauts quantiques etd’échardes quantiques, deux phénomènes dont on précise la statistique. Hors de la limite forte, onpropose une méthode d’extraction optimale d’information pour un registre de qubits. Sur le frontdes applications, on introduit une méthode originale de contrôle utilisant l’intensité de la mesurecomme unique variable et on explique la transition balistique-diffusif dans les marches aléatoiresquantiques ouvertes; deux sous produits de l’étude théorique préalable des situations de mesureforte. On s’intéresse aussi au problème de la gravité semi-classique et montre que la théorie desmesures continues peut permettre d’en construire un modèle cohérent à la limite newtonienne. Onsuggère enfin quelques extensions possibles de la théorie à l’estimation a posteriori et d’éventuellesgénéralisations des résultats théoriques à des situations de mesures répétées discrètes. Dans laprésentation des résultats, l’accent est mis davantage sur l’explicitation des liens entre les multiplespoints de vue possibles sur les trajectoires quantiques (parallèles avec la théorie classique du filtrageet les modèles de collapse objectif utilisés dans les fondements) que sur la rigueur mathématique. / This thesis is devoted to the study of the quantum trajectories obtained from thetheory of continuous measurement in non relativistic quantum mechanics. New theoretical resultsas well as examples of applications are presented. On the theoretical front, we study mostly thelimit of «strong» measurement where we put forward the emergence of quantum jumps and quantumspikes, two phenomena we characterize in detail. Out of the strong measurement limit, weinvestigate a method to extract information from a register of qubits optimally. On the applicationfront, we introduce an original method to control quantum systems exploiting only the freedomof changing the measurement intensity and we explain the transition between a ballistic and adiffusive behavior in open quantum random walks; two byproduct of the theoretical study of thestrong measurement regime. We further study the problem of semi-classical gravity and show thatcontinuous measurement theory allows to construct a consistent model in the Newtonian regime.We eventually suggest possible extensions of the formalism to a posteriori estimation and hint atgeneralizations of the results for the strong measurement limit in the wider context of discreterepeated measurements. In the course of our presentation, we emphasize the link with other approachesto the theory of continuous measurement (parallels with stochastic filtering and collapsemodels in foundations) rather than aim for mathematical rigor.

Dans cette thèse, nous nous intéressons à la stabilisation par rétroaction des systèmes quantiques ouverts soumis à des mesures imparfaites en temps continu. Tout d'abord, nous introduisons la théorie du filtrage quantique pour décrire l'évolution temporelle de l'opérateur de densité conditionnelle représentant un état quantique en interaction avec un environnement. Ceci est décrit par une équation différentielle stochastique à valeurs matricielles. Deuxièmement, nous étudions le comportement asymptotique des trajectoires quantiques associées à des systèmes de spin à N niveaux pour des états initiaux donnés, pour les cas avec et sans loi de rétroaction. Dans le cas sans loi de rétroaction, nous montrons la propriété de réduction de l'état quantique à vitesse exponentielle. Ensuite, nous fournissons des conditions suffisantes sur la loi de contrôle assurant une convergence presque sûre vers un état pur prédéterminé correspondant à un vecteur propre de l'opérateur de mesure. Troisièmement, nous étudions le comportement asymptotique des trajectoires de systèmes ouverts à plusieurs qubits pour des états initiaux donnés. Dans le cas sans loi de rétroaction, nous montrons la réduction exponentielle de l'état quantique pour les systèmes N-qubit avec deux canaux quantiques. Dans le cas particulier des systèmes à deux qubits, nous donnons des conditions suffisantes sur la loi de contrôle assurant la convergence asymptotique vers un état cible de Bell avec un canal quantique, et la convergence exponentielle presque sûre vers un état cible de Bell avec deux canaux quantiques. Ensuite, nous étudions le comportement asymptotique des trajectoires des systèmes quantiques ouverts de spin-1/2 avec les états initiaux inconnus soumis à des mesures imparfaites en temps continu, et nous fournissons des conditions suffisantes au contrôleur pour garantir la convergence de l'état estimé vers l'état quantique réel lorsque le temps tend vers l'infini. En conclusion, nous discutons de manière heuristique du problème de stabilisation exponentielle des systèmes de spin à N niveaux avec les états initiaux inconnus et nous proposons des lois de rétroaction candidates afin de stabiliser le système de manière exponentielle. / In this thesis, we focus on the feedback stabilization of open quantum systems undergoing imperfect continuous-time measurements. First, we introduce the quantum filtering theory to obtain the time evolution of the conditional density operator representing a quantum state in interaction with an environment. This is described by a matrix-valued stochastic differential equation. Second, we study the asymptotic behavior of quantum trajectories associated with N-level quantum spin systems for given initial states, for the cases with and without feedback law. For the case without feedback, we show the exponential quantum state reduction. Then, we provide sufficient conditions on the feedback control law ensuring almost sure exponential convergence to a predetermined pure state corresponding to an eigenvector of the measurement operator. Third, we study the asymptotic behavior of trajectories of open multi-qubit systems for given initial states. For the case without feedback, we show the exponential quantum state reduction for N-qubit systems with two quantum channels. Then, we focus on the two-qubit systems, and provide sufficient conditions on the feedback control law ensuring asymptotic convergence to a target Bell state with one quantum channel, and almost sure exponential convergence to a target Bell state with two quantum channels. Next, we investigate the asymptotic behavior of trajectories of open quantum spin-1/2 systems with unknown initial states undergoing imperfect continuous-time measurements, and provide sufficient conditions on the controller to guarantee the convergence of the estimated state towards the actual quantum state when time goes to infinity. Finally, we discuss heuristically the exponential stabilization problem for N-level quantum spin systems with unknown initial states and propose candidate feedback laws to stabilize exponentially the system.