A Matemática Intervalar se assenta em dois conceitos fundamentais, a propriedade da inclusão-monotonicidade de sua aritmética e uma topologia de Hausdorff definida no conjunto dos intervalos. A propriedade da inclusão-monotonicidade tem se revelado uma ferramenta útil na elaboração de algoritmos intervalares, enquanto a topologia de Hausdorff não consegue refletir as características lógicas daquela propriedade, comprometendo, desse modo, a construção de uma lógica cujo modelo seria a estrutura intervalar munida dessa topologia. Essa lógica seria necessária para fundamentação da matemática intervalar como uma teoria de algorítmos da análise real. Neste trabalho se mostra que o insucesso na construção dessa fundamentação se deve a incompatibilidade entre a propriedade da inclusão-monotonicidade e a topologia de Hausdorff. A partir dessa constatação se descarta essa topologia e define-se uma outra topologia - a topologia de Scott - que é compatível com essa propriedade, no sentido de que todo resultado obtido usando-se a lógica, isto é, a propriedade da inclusão-monotonicidade, obtém-se também usando-se a ferramenta topológica e reciprocamente. A teoria resultante da substituição da topologia de Hausdorff pela topologia de Scott tem duas características fundamentais. A Análise Funcional Intervalar resultante possui a maioria das propriedades interessantes da Análise Real, suprimindo, assim, as deficiências da Análise Intervalar anterior. A elaboração da propriedade da inclusão-monotoniciadade permite construir uma lógica geométrica e uma teoria lambda cujo modelo é essa nova matemática intervalar. Além disso, a partir dessa lógica e da teoria lambda se elabora uma teoria construtiva, como a teoria dos tipos de Martin-Löf, que permite se raciocinar com programas dessa matemática. Isso significa a possibilidade de se fazer correção automática de programas da matemática intervalar. Essa nova abordagem da matemática intervalar é desenvolvida pressupondo, apenas, o conceito de número racional, além, é claro, da linguagem da teoria dos conjuntos. Desse modo é construído o sistema intervalar de um modo análogo ao sistema real. Para isso é generalizado o conceito de corte de Dedekind, resultando dessa construção um sistema ordenado denominado de quasi-corpo, em contraste com o números reais cujo sistema é algébrico, o corpo dos números reais. Assim, no sistema intervalar a ordem é um conceito intrínseco ao sistema, diferentemente do sistema de números reais cuja a ordem não faz parte da álgebra do sistema. A lógica dessa nova matemática intervalar é uma lógica categórica. Isto significa que todo resultado obtido para domínios básicos se aplica para o produto cartesiano, união disjunta, o espaço de funções, etc., desses domínios. Isto simplifica consideravelmente a teoria. Um exemplo dessa simplificação é a definição de derivada nessa nova matemática intervalar, conceito ainda não bem definido na teoria intervalar clássica. / The Interval Mathematics is based on two fundamental concepts, the inclusion-monotonicity of its arithmetics and a Hausdorff topology defined on the interval set. The property of inclusion-monotonicity has risen as an useful tool for elaboration of interval algorithms. In contrast, because the Hausdorff topology does not reflect the logical features of that property, the interval mathematics did not, permit the elaboration of a logic whose model is this interval mathematics with that topology. This logic should be necessary to the foundation of the interval mathematics as a Real Analysis Theory of Algorithms. This thesis shows that the theory of algorithms refered above was not possible because of the incompatibility between the property of inclusion-monotonicity and the Hausdorff topology. By knowing the shortcoming of this topology, the next step is to set it aside and to define a new topology - the Scott topology - compatible with the refered property in the sense that every result, obtained via the logic is also obtainable via the topology and vice-versa. After changing the topology the resulting theory has two basic features. The Interval Functional Analysis has got the most, interesting properties belonging to Real Analysis, supressing the shortcomings of previous interval analysis. The elaboration of the inclusion-monotonicity property allows one to construct a geometric logic and a lambda theory whose model is this new interval mathematics. From this logic and from the lambda theory a constructive theory is then elaborated, similar to Martin-Löf type theory, being possible then to reason about programs of this new interval mathematics. This means the possibility of automatically checking the correctness of programs of interval mathematics. This new approach assumes only the concept, of rational numbers beyond, of course, the set theory language. It is constructed an interval system similar to the real system. A general notion of the concept of Dedekind cut was necessary to reach that. The resulting construction is an ordered system which will be called quasi-field, in opposition to the real numbers system which is algebraic. Thus, in the interval system the order is an intrinsic concept, unlike the real numbers sistems whose order does not belong to the algebraic system. The logic of this new interval mathematics is a categorical logic. This means that, every result got for basic domains applies also to cartesian product, disjoint union, function spaces, etc., of these domains. This simplifies considerably the new theory. An example of this simplication is given by the definition of derivative, a concept not, derived by the classical interval theory.

With the advent of cloud computing, resizable scalable infrastructures for data processing is now available to everyone. Software platforms and frameworks that support data intensive distributed applications such as Amazon Web Services and Apache Hadoop enable users to the necessary tools and infrastructure to work with thousands of scalable computers and process terabytes of data. However writing scalable applications that are run on top of these distributed frameworks is still a demanding and challenging task. The thesis aimed to advance the core scientific and technological means of managing, analyzing, visualizing, and extracting useful information from large data sets, collectively known as “big data”. The term “big-data” in this thesis refers to large, diverse, complex, longitudinal and/or distributed data sets generated from instruments, sensors, internet transactions, email, social networks, twitter streams, and/or all digital sources available today and in the future. We introduced architectures and concepts for implementing a cloud-based infrastructure for analyzing large volume of semi-structured and unstructured data. We built and evaluated an application prototype for collecting, organizing, processing, visualizing and analyzing data from the retail industry gathered from indoor navigation systems and social networks (Twitter, Facebook etc). Our finding was that developing large scale data analysis platform is often quite complex when there is an expectation that the processed data will grow continuously in future. The architecture varies depend on requirements. If we want to make a data warehouse and analyze the data afterwards (batch processing) the best choices will be Hadoop clusters and Pig or Hive. This architecture has been proven in Facebook and Yahoo for years. On the other hand, if the application involves real-time data analytics then the recommendation will be Hadoop clusters with Storm which has been successfully used in Twitter. After evaluating the developed prototype we introduced a new architecture which will be able to handle large scale batch and real-time data. We also proposed an upgrade of the existing prototype to handle real-time indoor navigation data.

La ecuación de la difusión neutrónica describe la población de neutrones de un reactor nuclear. Este trabajo trata con este modelo para reactores nucleares con geometría hexagonal. En primer lugar se estudia la ecuación de la difusión neutrónica. Este es un problema diferencial de valores propios, llamado problema de los modos Lambda. Para resolver el problema de los modos Lambda se han comparado diferentes métodos en geometrías unidimensionales, resultando como el mejor el método de elementos espectrales. Usando este método discretizamos los operadores en geometrías bidimensiones y tridimensionales, resolviendo el problema algebraica de valores propios resultante con el método de Arnoldi. La distribución de neutrones estado estacionario se utiliza como condición inicial para la integración de la ecuación de la difusión neutrónica dependiente del tiempo. Se utiliza un método de Euler implícito para integrar en el tiempo. Cuando un nodo está parcialmente insertado aparece un comportamiento no físico de la solución, el efecto ``rod cusping'', que se corrige mediante la ponderación de las secciones eficaces con el flujo del paso de tiempo anterior. Cuando la solución de los sistemas algebraicos que surgen en el método hacia atrás, un método de Krylov se utiliza para resolver los sistemas resultantes, y diferentes estrategias de precondicionamiento se evalúan se. La primera consiste en el uso de la estructura de bloque obtenido por los grupos de energía para resolver el sistema por bloques, y diferentes técnicas de aceleración para el esquema iterativo de bloques y un precondicionador utilizando esta estructura de bloque se proponen. Además se estudia un precondicionador espectral, que hace uso de la información en un subespacio de Krylov para precondicionar el siguiente sistema. También se proponen métodos exponenciales de segundo y cuarto orden integrar la ecuación de difusión neutrónica dependiente del tiempo, donde la exponencial de la matriz del sistema tiene qu / González Pintor, S. (2012). Approximation of the Neutron Diffusion Equation on Hexagonal Geometries [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/17829 / Palancia

Object-oriented languages have made a shift towards incorporating functional concepts such as lambdas. Lambdas are anonymous functions that can be used within the scope of other functions. In C++ lambdas are considered difficult to use for inexperienced developers. This implies that there may be problems with lambdas in C++. However, studies about lambdas in C++ repositories are scarce, compared to other object-oriented languages such as Java. This study aims to address a knowledge gap regarding how lambdas are used by developers in C++ repositories. Furthermore, examine how developer experience and software engineering practices, such as unit testing and in-code documentation, correlates with the inclusion of lambdas. To achieve this we create a set of tools that statically analyse repositories to gather results. This study gained insight into the number of repositories utilising lambdas, their usage areas, and documentation but also how these findings compare to similar studies’ results in Java. Further, it is shown that unit testing and developer experience correlates with the usage of lambdas. / Objektorienterade språk har gjort en förskjutning mot att integrera funktionella begrepp som lambdas. Lambdas är anonyma funktioner som kan användas inom ramen för andra funktioner. I C ++ anses lambdas vara svåra att använda för oerfarna utvecklare. Detta innebär att det kan vara problem med lambdas i C ++. Emellertid är studier på lambdas i C ++ repositorier mindre vanliga jämfört med andra objektorienterade språk som Java. Denna studie syftar till att ta itu med ett kunskapsgap beträffande hur lambdas används av utvecklare i C++ repositorier. Dessutom undersöks hur utvecklarvanor och sedvänjor i programvaruutveckling, till exempel enhetstestning och dokumentation, korrelerar med inkluderingen av lambdas. För att uppnå detta skapar vi en uppsättning verktyg som statiskt analyserar repositorier för att samla resultat. Denna studie fick inblick i antalet repositorier som använder lambdas, deras användningsområden och dokumentation men också hur dessa resultat jämför sig med liknande studieresultat i Java. Vidare har det visats att enhetstestning och utvecklaren erfarenhet korrelerar med användningen av lambdas.

[EN] The neutron diffusion equation is an approximation of the neutron transport equation that describes the neutron population in a nuclear reactor core. In particular, we will consider here VVER-type reactors which use the neutron diffusion equation discretized on hexagonal meshes. Most of the simulation codes of a nuclear power reactor use the multigroup neutron diffusion equation to describe the neutron distribution inside the reactor core.To study the stationary state of a reactor, the reactor criticality is forced in artificial way leading to a generalized differential eigenvalue problem, known as the Lambda modes equation, which is solved to obtain the dominant eigenvalues of the reactor and their corresponding eigenfunctions. To discretize this model a finite element method with h-p adaptivity is used. This method allows to use heterogeneous meshes, and allows different refinements such as the use of h-adaptive meshes, reducing the size of specific cells, and p-refinement, increasing the polynomial degree of the basic functions used in the expansions of the solution in the different cells. Once the solution for the steady state neutron distribution is obtained, it is used as initial condition for the time integration of the neutron diffusion equation. To simulate the behaviour of a nuclear power reactor it is necessary to be able to integrate the time-dependent neutron diffusion equation inside the reactor core. The spatial discretization of this equation is done using a finite element method that permits h-p refinements for different geometries. Transients involving the movement of the control rod banks have the problem known as the rod-cusping effect. Previous studies have usually approached the problem using a fixed mesh scheme defining averaged material properties and many techniques exist for the treatment of the rod cusping problem. The present work proposes the use of a moving mesh scheme that uses spatial meshes that change with the movement of the control rods avoiding the necessity of using equivalent material cross sections for the partially inserted cells. The performance of the moving mesh scheme is tested studying different benchmark problems. For reactor calculations, the accuracy of a diffusion theory solution is limited for for complex fuel assemblies or fine mesh calculations. To improve these results a method that incorporates higher-order approximations for the angular dependence, as the simplified spherical harmonics (SPN ) method must be employed. In this work an h-p Finite Element Method (FEM) is used to obtain the dominant Lambda mode associated with a configuration of a reactor core using the SPN approximation. The performance of the SPN (N= 1, 3, 5) approximations has been tested for different reactor benchmarks. / [ES] La ecuación de la difusión neutrónica es una aproximación de la ecuación del transporte de neutrones que describe la población de neutrones en el núcleo de un reactor nuclear. En particular, consideraremos reactores de tipo VVER y para simular su comportamiento se utilizará la ecuación de la difusión neutrónica para cuya discretización se hace uso de mallas hexagonales. La mayoría de los códigos de simulación de reactores nucleares utilizan aproximación multigrupo de energía de la ecuación de la difusión neutrónica para describir la distribución de neutrones en el interior del núcleo del reactor. Para estudiar el estado estacionario del reactor, es posible forzar la criticidad del reactor de forma artificial modificando las secciones eficaces de forma que se obtiene un problema de valores propios diferencial, conocido como el problema de los Modos Lambda, que se resuelve para obtener los valores propios dominantes del reactor y sus correspondientes funciones propias. Para discretizar este modelo se ha hecho uso de un método de elementos finitos con adaptabilidad h-p. Este método permite el uso de mallas heterogéneas, y de diferentes refinamientos como el uso mallas h-adaptativas, reduciendo el tamaño de los distintos nodos, y el p-refinado, aumentando el grado del polinomio de las funciones básicas utilizado en los desarrollos de la solución en los diferentes nodos. Se ha desarrollado un código basado en un método de elementos finitos de alto orden para resolver el problema de los Modos Lambda en un reactor con geometría hexagonal y se han obtenido los Modos dominantes para distintos problemas de referencia. Una vez que se ha obtenido la solución para la distribución de neutrones en estado estacionario, ésta se utiliza como condición inicial para la integración de la ecuación de difusión neutrónica dependiente del tiempo. Para simular el comportamiento de un reactor nuclear para un determinado transitorio, es necesario ser capaz de integrar la ecuación de la difusión neutrónica dependiente del tiempo en el interior del núcleo del reactor. La discretización espacial de esta ecuación se hace usando un método de elementos finitos de alto orden que permite refinados de tipo h-p para distintas geometrías. Los transitorios que implican el movimiento de los bancos de las barras de control tienen el problema conocido como el efecto 'rod-cusping'. Estudios anteriores, por lo general, han abordado este problema utilizando una malla fija y definiendo propiedades promedio para los materiales correspondientes a las celdas donde se tiene la barra de control parcialmente insertada. En el presente trabajo se propone el uso de un esquema de malla móvil, de forma que en mallado espacial va cambiando con el movimiento de la barra de control, evitando la necesidad de utilizar secciones eficaces equivalentes para las celdas parcialmente insertadas. El funcionamiento de este esquema de malla móvil propuesto se estudia resolviendo distintos problemas tipo. La precisión obtenida mediante de la teoría de la difusión en los cálculos de reactores es limitada cuando se tienen elementos de combustible complejos o se pretenden realizar cálculos en malla fina. Para mejorar estos resultados, es necesario disponer de un método que incorpore aproximaciones de orden superior de la ecuación del transporte de neutrones. Una posibilidad es hacer uso de las ecuaciones PN simplificadas (SPN ). En este trabajo se utiliza un método de elementos finitos h-p para obtener los modos dominantes asociados con una configuración dada del núcleo de un reactor nuclear con geometría hexagonal usando la aproximación SPN . El funcionamiento de las aproximaciones SPN (N = 1, 3, 5) se ha estudiado para distintos problemas de referencia. / [CAT] L'equació de la difusió neutrònica és una aproximació de l'equació del transport de neutrons que descriu la població de neutrons en el nucli de un reactor nuclear. En particular, considerarem reactors de tipus VVER i per a simular el seu comportament s'utilitzarà l'equació de la difusió neutrónica que es discretitza fent ús de malles hexagonals. La majoria dels codis de simulació de reactors nuclears utilitzen l'aproximació multigrup d'energia de l'equació de la difusió neutrónica per a descriure la distribució de neutrons a l'interior del nucli del reactor. Per a estudiar l'estat estacionari del reactor, és possible forçar la seua criticitat de forma artificial modificant les seccions eficaces de manera que s'obté un problema de valors propis diferencial, conegut com el problema dels Modes Lambda, que es resol per a obtenir els valors propis dominants del reactor i les seues corresponents funcions pròpies. Per a discretitzar aquest model s'ha fet ús d'un mètode d'elements finits amb adaptabilitat h-p. Aquest mètode permet l'ús de malles heterogènies, i de diferents refinaments com l'ús malles h-adaptatives, reduint la grandària dels diferents nodes, i el p-refinat, augmentant el grau del polinomi de les funcions bàsiques utilitzat en els desenvolupaments de la solució en els diferents nodes. S'ha desenvolupat un codi basat en un mètode d'elements finits d'alt ordre per a resoldre el problema dels Modes Lambda en un reactor amb geometria hexagonal i s'han obtingut els Modes dominants per a diferents problemes de referència. Una vegada que s'ha obtingut la solució per a la distribució de neutrons en estat estacionari, aquesta s'utilitza com a condició inicial per a la integració de l'equació de difusió neutrònica depenent del temps. Per a simular el comportament d'un reactor nuclear per a un determinat transitori, és necessari ser capaç d'integrar l'equació de la difusió neutrónica depenent del temps a l'interior del nucli del reactor. La discretitzación espacial d'aquesta equació es fa usant un mètode d'elements finits d'alt ordre que permet refinats de tipus h-p per a diferents geometries. Els transitoris que impliquen el moviment dels bancs de les barres de control tenen el problema conegut com l'efecte 'rod-cusping'. Estudis anteriors, en general, han abordat aquest problema utilitzant una malla fixa i definint propietats equivalents per als materials corresponents a les cel·les on es té la barra de control parcialment inserida. En el present treball es proposa l'ús d'un esquema de malla mòbil, de manera que en mallat espacial va canviant amb el moviment de la barra de control, evitant la necessitat d'utilitzar seccions eficaces equivalents per a les cel·les parcialment inserides. El funcionament de aquest esquema de malla mòbil s'estudia resolent diferents problemes tipus. La precisió obtinguda mitjançant de la teoria de la difusió en els càlculs de reactors és limitada quan es tenen elements de combustible complexos o es pretenen realitzar càlculs en malla fina. Per a millorar aquests resultats, és necessari disposar d'un mètode que incorpore aproximacions d'ordre superior de l'equació del transport de neutrons. Una possibilitat és fer ús de les equacions PN simplificades (SPN ). En aquest treball s'utilitza un mètode d'elements finits h- p per a obtenir els modes dominants associats amb una configuració donada del nucli de un reactor amb geometria hexagonal usant l'aproximació SPN . El funcionament de les aproximacions SPN (N = 1, 3, 5) s'ha estudiat per a diferents problemes de referència. / Fayez Moustafa Moawad, R. (2016). Approximation of The Neutron Diffusion Equation on Hexagonal Geometries Using a h-p finite element method [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/65353 / TESIS

The interplay between spectrum and structure of graphs is the recurring theme of the three more or less independent chapters of this thesis. The first chapter provides a method to relate the eigensolutions of two matrices, one being the principal submatrix of the other, via an arbitrary annihilating polynomial. This is extended to lambda-matrices and to matrices the entries of which are rational functions in one variable. The extension may be interpreted as a possible generalization of other known techniques which aim at reducing the size of a matrix while preserving the spectral information. Several aspects of an application in order to reduce the computational costs of ordinary eigenvalue problems are discussed. The second chapter considers the straightforward extension of the well known concept of equitable partitions to weighted graphs, i.e. complex matrices. It provides a method to divide the eigenproblem into smaller parts corresponding to the front divisor and its complementary factor in an easy and stable way with complexity which is only quadratic in matrix size. The exploitation of several equitable partitions ordered by refinement is discussed and a suggestion is made that preserves hermiticity if present. Some generalizations of equitable partitions are considered and a basic procedure for finding an equitable partition of complex matrices is given. The third chapter deals with isospectral and unitary equivalent graphs. It introduces a construction for unitary equivalent graphs which contains the well known GM-switching as a special case. It also considers an algebra of graph matrices generated by the adjacency matrix that corresponds to the 1-dimensional Weisfeiler-Lehman stabilizer in a way that mimics the correspondence of the coherent closure and the 2-dimensional Weisfeiler-Lehman stabilizer. The algebra contains the degree matrix, the (combinatorial, signless and normalized) Laplacian and the Seidel matrix. An easy construction produces graph pairs that are simultaneously unitary equivalent w.r.t. that algebra.

<p>Spin-orbit interactions cause a global polarization [P] of Lambda (anti-Lambda) hyperons with the vorticity (or total angular momentum) in the participant collision zone. The strong magnetic field mainly created by the spectator protons would split the Lambda and anti-Lambda global polarization [Delta P]. Quantum chromodynamics (QCD) predicts topological charge fluctuation in vacuum, resulting in a chirality imbalance, or parity violation in a local domain. This would give rise to an imbalanced left- and right-handed Lambda (anti-Lambda) [Delta n], as well as a charge separation along the magnetic field, referred to as the chiral magnetic effect (CME). The latter can be characterized by the parity-even [Delta gamma] and parity-odd [Delta a1] observables. While measurements of the individual [Delta P], [Delta gamma], and [Delta a1] have not led to affirmative conclusions on the CME or the magnetic field, correlations among these observables may reveal new insights. We report exploratory measurements of event-by-event correlations between [Delta P] and [Delta gamma], and between [Delta n] and [Delta a1] by the STAR experiment in Au+Au collisions at 27 GeV. No correlations have been observed beyond statistical fluctuations. Future endeavor would be to extract an upper limit from the data as well as to apply the correlation analysis to other data samples.</p>

Diese Dissertation befaßt sich mit kinetischen und dynamischen Analysen an spinmarkierten Proteinen mittels Elektronenspinresonanz-Spektroskopie (ESR-S) in Kombination mit weiteren biophysikalischen Methoden. Die Spinmarkierung der hier untersuchten Proteine (z.B. Bakteriorhodopsin (EF-loop) bzw. Reverse Transkriptase) erfolgt durch spezifische Substitution ausgewählter Aminosäure-Seitenketten durch eine radikalische Seitenkette ("R1", MTS-Spinlabel an Cystein gebunden). Der Schwerpunkt dieser Arbeit liegt in der Methodenentwicklung eines neuen Simulationsverfahrens für ESR-Spektren basierend auf einer speziellen Molekulardynamik-Simulation (MD-S). Das Verfahren nutzt den von Robinson et al. (J.Chem.Phys.96:2609-2616) vorgeschlagenen Trajektorien-basierten Berechnungsalgorithmus für ESR-Spektren. Hierfür sind zahlreiche Trajektorien der umgebungsabhängigen Umorientierungsdynamik von R1 mit Längen von jeweils über 700 ns erforderlich. Diese Trajektorien werden im hier präsentierten Simulationsverfahren mit minimalem Zeitaufwand in drei Stufen generiert: i) statistisch korrekte Erfassung des gesamten verfügbaren Konformationsraums von R1 in positionsspezifischer Proteinumgebung mittels einer kurzen (ca. 10 ns) speziellen MD-S (in-vacuo, 600 Kelvin); ii) Berechnung eines Potentials im Eulerwinkelraum welches das spezifische Umorientierungsverhalten der radikalischen R1-Kopfgruppe widerspiegelt; iii) Trajektorienberechnung mittels Simulation der potentialabhängigen Brownschen Umorientierungsdynamik eines virtuellen Teilchens bei 300 Kelvin (Einteilchen-Simulation). Die Statistiken wichtiger dynamischer Prozesse während der speziellen MD-S werden analysiert und mit Langzeit-Dynamiken aus herkömmlichen MD-S unter physiologischen Bedingungen verglichen. Zusätzlich wird ein Simulationsverfahren zur Identifikation von Wasserstoff-Brücken vorgestellt. In einem weiteren Kapitel dieser Arbeit werden Konzeption, Aufbau und Test einer Temperatursprung-ESR-Anlage beschrieben.

This thesis presents some theoretical studies dealing with quantum interference effects in electron transport through single molecule magnet transistors and a study on optical non-conserving spin transitions in the Nitrogen-vacancy center in diamond. The thesis starts with a brief general introduction to the physics of quantum transport through single electron transistors. Afterwards, the main body of the thesis is divided into three studies: (i) In chapter (2) we describe the properties of single molecule magnets and the Berry phase interference present in this nanomagnets. We then propose a way to detect quantum interference experimentally in the current of a single molecule magnet transistor using polarized leads. We apply our theoretical results to the newly synthesized nanomagnet Ni4. (ii) In chapter (3) we review the Kondo effect and present a microscopic derivation of the Kondo Hamiltonian suitable for full and half integer spin nanomagnets. We then calculate the conductance of the single molecule magnet transistor in the presence of the Kondo effect for Ni4 and show how the Berry phase interference becomes temperature dependent. (iii) We conclude in chapter (4) with a theoretical study of the single Nitrogen vacancy defect center in diamond. We show that it is possible to have spin non-conserving transitions via the hyperfine interaction and propose a way to write and read quantum information using circularly polarized light by means of optical Lambda transitions in this solid state system.

La mutagenèse dirigée est un outil indispensable à toute étude microbiologique, car elle permet d’identifier le rôle de certains locus génétiques identifiés comme acteurs potentiels dans des contextes précis. Cependant, les protocoles de mutagenèse dirigée sont longs et laborieux, et leur mise en œuvre est l’un des points limitants en recherche. L’émergence de CRISPR-Cas9 (clustered regularly interspaced short palindromic repeats) comme outil moléculaire a permis d’accélérer et de faciliter ces procédures de mutagenèse par contre-sélection. La limite de ces protocoles se situe dans la régénération de l’espaceur effectuant la contre-sélection. Notre plateforme CRISPR, dénommée Horus, offre une solution à cette limitation. Elle utilise du clonage in vivo afin de raccourcir autant la durée que la charge de travail du protocole, pour aboutir à l'obtention de mutants en une seule étape. Pour se faire nous avons conçu in silico un ARN guide synthétique capable d’agir comme un interrupteur génétique (porte logique ET) et de performer une contre sélection (discriminant les bactéries de types sauvages des mutants) via le système CRISPR-Cas9. / Site-directed mutagenesis is an essential tool for any microbiological study because it makes it possible to identify the role of certain loci identified as potential actors in specific contexts. However, site-directed mutagenesis protocols are long and laborious, and their implementation is one of the limiting points of research. The emergence of CRISPR-Cas9 (clustered regularly interspaced short palindromic repeats) as a molecular tool has accelerated the facilitation of these counter-selection mutagenesis protocols. The limitation of these protocols lies in the regeneration of the protospacer mediating the counter selection. Our CRISPR platform, called Horus (HOmologuous Recombination Using SsDNA), offers a solution to this limitation. It uses in vivo cloning to shorten both the duration and the workload of the protocol, allowing to obtain mutants strains in just one step. To do so, we designed in silico a synthetic guide RNA capable of acting as a genetic switch (AND Gate) and performing counter-selection (discriminating WT bacteria from mutants) via the CRISPR-Cas9 system.