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京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第20546号 / 理博第4304号 / 新制||理||1618(附属図書館) / 京都大学大学院理学研究科物理学・宇宙物理学専攻 / (主査)教授 早川 尚男, 教授 川上 則雄, 教授 佐々 真一 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DGAM

京都大学 / 新制・課程博士 / 博士(理学) / 甲第24440号 / 理博第4939号 / 新制||理||1706(附属図書館) / 京都大学大学院理学研究科化学専攻 / (主査)教授 谷村 吉隆, 教授 林 重彦, 教授 鈴木 俊法 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DGAM

Understanding energy transfer at the molecular scale is both essential for the design of novel molecular level devices and vital for uncovering the fundamental properties of non-equilibrium open quantum systems. In this thesis, we first establish the connection between molecular scale devices -- molecular electronics and phononics -- and open quantum system models. We then develop theoretical tools to study various properties of these models. We extend the standard master equation method to calculate the steady state thermal current and conductance coefficients. We then study the scaling laws of the thermal current with molecular chain size and energy, and apply this tool to investigate the onset of nonlinear thermal current - temperature characteristics, thermal rectification and negative differential conductance. Our master equation technique is valid in the ``on-resonance" regime, referring to the situation in which bath modes in resonance with the subsystem modes are thermally populated. In the opposite ``off-resonance" limit, we develop the Energy Transfer Born-Oppenheimer method to obtain the thermal current scaling without the need to solve for the subsystem dynamics. Finally, we develop a mapping scheme that allows the dynamics of a class of open quantum systems containing coupled subsystems to be treated by considering the separate dynamics in different subsections of the Hilbert space. We combine this mapping scheme with path integral numerical simulations to explore the rich phenomenon of entanglement dynamics within a dissipative two-qubit model. The formalisms developed in this thesis could be applied for the study of energy transfer in different realizations, including molecular electronic junctions, donor-acceptor molecules, artificial solid state qubits and cold-atom lattices.

Understanding energy transfer at the molecular scale is both essential for the design of novel molecular level devices and vital for uncovering the fundamental properties of non-equilibrium open quantum systems. In this thesis, we first establish the connection between molecular scale devices -- molecular electronics and phononics -- and open quantum system models. We then develop theoretical tools to study various properties of these models. We extend the standard master equation method to calculate the steady state thermal current and conductance coefficients. We then study the scaling laws of the thermal current with molecular chain size and energy, and apply this tool to investigate the onset of nonlinear thermal current - temperature characteristics, thermal rectification and negative differential conductance. Our master equation technique is valid in the ``on-resonance" regime, referring to the situation in which bath modes in resonance with the subsystem modes are thermally populated. In the opposite ``off-resonance" limit, we develop the Energy Transfer Born-Oppenheimer method to obtain the thermal current scaling without the need to solve for the subsystem dynamics. Finally, we develop a mapping scheme that allows the dynamics of a class of open quantum systems containing coupled subsystems to be treated by considering the separate dynamics in different subsections of the Hilbert space. We combine this mapping scheme with path integral numerical simulations to explore the rich phenomenon of entanglement dynamics within a dissipative two-qubit model. The formalisms developed in this thesis could be applied for the study of energy transfer in different realizations, including molecular electronic junctions, donor-acceptor molecules, artificial solid state qubits and cold-atom lattices.

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第21585号 / 理博第4492号 / 新制||理||1645(附属図書館) / 京都大学大学院理学研究科化学専攻 / (主査)教授 谷村 吉隆, 教授 林 重彦, 教授 寺嶋 正秀 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DGAM

In this thesis, we discuss correlations arising between a system and its environment that lead to errors in an open quantum system. Detecting those correlations would be valuable for avoiding and/or correcting those errors. It was studied previously that we can detect correlations by only measuring the system itself if we know the cause of interaction between the two, for example in the case of a dipole-dipole interaction for a spin 1/2-spin 1/2 interaction Hamiltonian. We investigate the unitary, U which is associated with the exchange Hamiltonian and examine the ability to detect initial correlations between a system and its environment for a spin-1/2(qubit) system interacting with a larger higher dimensional environment. We provide bounds for when we can state with certainty that there are initial system-environment correlations given experimental data.

On etudie la contrôlabilité des systèmes quantiques dans deux contextes différents: le cadre standard fermé, dans lequel un système quantique est considéré comme isolé et le problème de contrôle est formulé sur l'équation de Schrödinger; le cadre ouvert qui décrit un système quantique en interaction avec un plus grand, dont seuls les paramètres qualitatifs sont connus, au moyen de l'équation de Lindblad sur les états.Dans le contexte des systèmes fermés on se focalise sur la classe intéressante des systèmes spin-boson, qui décrivent l'interaction entre un système quantique à deux niveaux et un nombre fini de modes distingués d'un champ bosonique. On considère deux exemples prototypiques, le modèle de Rabi et le modèle de Jaynes-Cummings qui sont encore très populaires dans plusieurs domaines de la physique quantique. Notamment, dans le contexte de la Cavity Quantum Electro Dynamics (C-QED), ils fournissent une description précise de la dynamique d'un atome à deux niveaux dans une cavité micro-onde en résonance, comme dans les expériences récentes de S. Haroche. Nous étudions les propriétés de contrôlabilité de ces modèles avec deux types différents d'opérateurs de contrôle agissant sur la partie bosonique, correspondant respectivement – dans l'application à la C-QED – à un champ électrique et magnétique externe. On passe en revue quelques résultats récents et prouvons la contrôlabilité approximative du modèle de Jaynes-Cummings avec ces contrôles. Ce résultat est basé sur une analyse spectrale exploitant les non-résonances du spectre. En ce qui concerne la relation entre l'Hamiltonien de Rabi et Jaynes-Cummings nous traitons dans un cadre rigoureux l'approximation appelée d'onde tournante. On formule le problème comme une limite adiabatique dans lequel la fréquence de detuning et le paramètre de force d'interaction tombent à zero, ce cas est connu sous le nom de régime de weak-coupling. On prouve que, sous certaines hypothèses sur le rapport entre le detuning et le couplage, la dynamique de Jaynes-Cumming et Rabi montrent le même comportement, plus précisément les opérateurs d'évolution qu'ils génèrent sont proches à la norme.Dans le cadre des systèmes quantiques ouverts nous étudions la contrôlabilité de l'équation de Lindblad. Nous considérons un contrôle agissant adiabatiquement sur la partie interne du système, que nous voyons comme un degré de liberté qui peut être utilisé pour contraster l'action de l'environnement. L'action adiabatique du contrôle est choisie pour produire une transition robuste. On prouve, dans le cas prototype d'un système à deux niveaux, que le système approche un ensemble de points d'équilibre déterminés par l'environnement, plus précisément les paramètres qui spécifient l'opérateur de Lindblad. Sur cet ensemble, le système peut être piloté adiabatiquement en choisissant un contrôle approprié. L'analyse est fondée sur l'application de méthodes de perturbation géométrique singulière. / We investigate the controllability of quantum systems in two differentsettings: the standard 'closed' setting, in which a quantum system is seen as isolated, the control problem is formulated on the Schroedinger equation; the open setting that describes a quantum system in interaction with a larger one, of which just qualitative parameters are known, by means of the Lindblad equation on states.In the context of closed systems we focus our attention to an interesting class ofmodels, namely the spin-boson models. The latter describe the interaction between a 2-level quantum system and finitely many distinguished modes of a bosonic field. We discuss two prototypical examples, the Rabi model and the Jaynes-Cummings model, which despite their age are still very popular in several fields of quantum physics. Notably, in the context of cavity Quantum Electro Dynamics (C-QED) they provide an approximate yet accurate description of the dynamics of a 2-level atom in a resonant microwave cavity, as in recent experiments of S. Haroche. We investigate the controllability properties of these models, analyzing two different types of control operators acting on the bosonic part, corresponding -in the application to cavity QED- to an external electric and magnetic field, respectively. We review some recent results and prove the approximate controllability of the Jaynes-Cummings model with these controls. This result is based on a spectral analysis exploiting the non-resonances of the spectrum. As far as the relation between the Rabi andthe Jaynes-Cummings Hamiltonians concerns, we treat the so called rotating waveapproximation in a rigorous framework. We formulate the problem as an adiabaticlimit in which the detuning frequency and the interaction strength parameter goes to zero, known as the weak-coupling regime. We prove that, under certain hypothesis on the ratio between the detuning and the coupling, the Jaynes-Cumming and the Rabi dynamics exhibit the same behaviour, more precisely the evolution operators they generate are close in norm.In the framework of open quantum systems we investigate the controllability ofthe Lindblad equation. We consider a control acting adiabatically on the internal part of the system, which we see as a degree of freedom that can be used to contrast the action of the environment. The adiabatic action of the control is chosen to produce a robust transition. We prove, in the prototype case of a two-level system, that the system approach a set of equilibrium points determined by the environment, i.e. the parameters that specify the Lindblad operator. On that set the system can be adiabatically steered choosing a suitable control. The analysis is based on the application of geometrical singular perturbation methods.

Ce travail de maîtrise a mené à la rédaction d'un article (Physical Review A 80, 062319 (2009)). / L'informatique quantique, brièvement introduite au chapitre 1, exploite les corrélations quantiques et en particulier l'intrication. Ces corrélations sont difficiles à maintenir car un système quantique n'est habituellement pas fermé, mais en interaction avec son environnement. Le traitement formel d'un système quantique ouvert requiert des outils spécifiques, introduits au chapitre 2. En utilisant ces notions, nous montrerons au chapitre 3 que l'interaction entre le système et son environnement aura pour effet de privilégier certains états, qualifiés de quasi-classiques, suggérant ainsi l'émergence d'un monde classique à partir d'un monde quantique. De plus, l'intrication qui se crée entre le système et son environnement détruira la cohérence d'une superposition d'états quasi-classiques. Il s'agit du phénomène de décohérence dont les mécanismes seront mis en évidence dans notre étude originale d'un gyroscope quantique au chapitre 4. Nous montrerons qu'une particule de grand spin servant à mesurer le moment angulaire d'électrons perd sa cohérence en un temps très court par rapport au temps caractéristique de relaxation. Afin de protéger la cohérence d'un système, essentielle pour l'informatique quantique, plusieurs techniques de protection ont été développées. Nous les rappelerons brièvement en début de chapitre 5, avant d'introduire une approche originale qui consiste à préparer l'environnement. Notre étude nous permet de caractériser l'existence d'états initiaux de l'environnement permettant une évolution sans décohérence du système dans une gamme de modèles où le système interagit avec un environnement présentant une dynamique propre. / Quantum information processing, briefly introduced in Chapter 1, relies on quantum correlations, namely on entanglement. Those correlations are difficult to maintain since a typical quantum system is not closed, but interacting with its environment. The analysis of an open quantum system requires specific tools which we introduce in Chapter 2. Using these concepts, we show in Chapter 3 that the interaction between the system and its environment will distinguish certain quasi-classical states, suggesting the emergence of a classical world from a quantum one. Furthermore, the entanglement created between the system and its environment will destroy the coherence of a superposition of such quasi-classical states. This phenomenon of decoherence exhibits mechanisms which we highlight in our original study of a quantum gyroscope in chapter 4. We demonstrate that a particle with large spin, used to measure the angular momentum of electrons, loses its coherence on a timescale much shorter than the characteristic timescale of relaxation. To protect the coherence of a system, essential to quantum information processing, several techniques have been developed. We briefly review them at the beginning of Chapter 5, before introducing a novel approach based on the preparation of the environment. Our analysis characterizes the existence of initial states of the environment allowing for decoherence-free evolution of the system in a large class of models in which the system interacts with a dynamical environment.

The aim of this work is to investigate projection operator method of deriva- tion of equations of motion for reduced density matrix and apply it to a model open quantum system. We gradually pass from quantum mechanical model of a molecule with one vibrational degree of freedom to an example of open quantum system relevant in the theory of nonlinear spectroscopy. In the thesis we present results of numerical simulations of the time evolution of the open quantum system performed with a program written for this purpose. We are specially concerned with simulations of the solution of the time-convolutionless generalized master equation up to the a second order of the perturbation expan- sion, and we show that under certain conditions it provides an exact solution of the problem. The text also contains derivation of the recurrence relations for the Franck-Condon factors for the most general case of two quantum harmonic oscillators in one space dimension, i. e. transformation matrix between two bases of the L2 (R) space determined by the solutions of the time-independent Schrödinger equation appropriate for these oscillators. 1