Ma thèse de doctorat était consacrée à l'étude des systèmes quantiques à plusieurs corps dissipatifs et pilotés. Ces systèmes représentent des plateformes naturelles pour explorer des questions fondamentales sur la matière dans des conditions de non-équilibre, tout en ayant un impact potentiel sur les technologies quantiques émergentes. Dans cette thèse, nous discutons d'une décomposition spectrale de fonctions de Green de systèmes ouverts markoviens, que nous appliquons à un modèle d'oscillateur quantique de van der Pol. Nous soulignons qu’une propriété de signe des fonctions spectrales des systèmes d’équilibre ne s’imposait pas dans le cas de systèmes ouverts, ce qui produisait une surprenante "densité d’états négative", avec des conséquences physiques directes. Nous étudions ensuite la transition de phase entre une phase normale et une phase superfluide dans un système prototype de bosons dissipatifs forcés sur un réseau. Cette transition est caractérisée par une criticité à fréquence finie correspondant à la rupture spontanée de l'invariance par translation dans le temps, qui n’a pas d’analogue dans des systèmes à l’équilibre. Nous discutons le diagramme de phase en champ moyen d'une phase isolante de Mott stabilisée par dissipation, potentiellement pertinente pour des expériences en cours. Nos résultats suggèrent qu'il existe un compromis entre la fidélité de la phase stationnaire à un isolant de Mott et la robustesse d'une telle phase à taux de saut fini. Enfin, nous présentons des développements concernant la théorie du champ moyen dynamique (DMFT) pour l’étude des systèmes à plusieurs corps dissipatifs et forcés. Nous introduisons DMFT dans le contexte des modèles dissipatifs et forcés et nous développons une méthode pour résoudre le problème auxiliaire d'une impureté couplée simultanément à un environnement markovien et à un environnement non-markovien. À titre de test, nous appliquons cette nouvelle méthode à un modèle simple d’impureté fermionique. / My PhD was devoted to the study of driven-dissipative quantum many-body systems. These systems represent natural platforms to explore fundamental questions about matter under non-equilibrium conditions, having at the same time a potential impact on emerging quantum technologies. In this thesis, we discuss a spectral decomposition of single-particle Green functions of Markovian open systems, that we applied to a model of a quantum van der Pol oscillator. We point out that a sign property of spectral functions of equilibrium systems doesn't hold in the case of open systems, resulting in a surprising ``negative density of states", with direct physical consequences. We study the phase transition between a normal and a superfluid phase in a prototype system of driven-dissipative bosons on a lattice. This transition is characterized by a finite-frequency criticality corresponding to the spontaneous break of time-translational invariance, which has no analog in equilibrium systems. Later, we discuss the mean-field phase diagram of a Mott insulating phase stabilized by dissipation, which is potentially relevant for ongoing experiments. Our results suggest that there is a trade off between the fidelity of the stationary phase to a Mott insulator and robustness of such a phase at finite hopping. Finally, we present some developments towards using dynamical mean field theory (DMFT) for studying driven-dissipative lattice systems. We introduce DMFT in the context of driven-dissipative models and developed a method to solve the auxiliary problem of a single impurity, coupled simultaneously to a Markovian and a non-Markovian environment. As a test, we applied this novel method to a simple model of a fermionic, single-mode impurity.

Le sujet de cette thèse est la théorie à partir des premiers principes de la structure électronique de matériaux présentant de fortes corrélations électroniques. D’importants progrès ont été faits dans ce domaine grâce aux implémentations modernes de Théorie de la Fonctionelle de Densité (DFT). Néanmoins, la méthode DFT a certaines limitations. D’une part, elle est faite pour décrire les propriétés de l’état fondamental mais pas des états excités des matériaux, bien que ces derniers soient également importants. D’autre part, les approximations de la fonctionnelle employées en pratique réduisent la validité de la DFT, conceptuellement exacte : en particulier elles décrivent mal les matériaux aux effets de corrélations les plus importants.Depuis les années 1990, différentes théoriques quantiques à N corps ont été utilisées pour améliorer ou compléter les simulations à base de DFT. Une des plus importantes est la Théorie du Champ Moyen Dynamique (DMFT), dans laquelle un modèle sur réseau est relié de manière auto-cohérente à un modèle plus simple d’impureté, ce qui donne de bons résultats à condition que les corrélations soient principalement locales. Nous présentons brièvement ces théories dans la première partie de cette thèse. Les progrès récents de la DMFT visent, entre autres, à mieux décrire les effets non-locaux, à comprendre les propriétés hors équilibre et à décrire de vrais matériaux plutôt que des modèles.Afin d’utiliser la DMFT pour décrire de vrais matériaux, il faut partir d’un calcul de structure électronique traitant tous les électrons au même niveau, puis appliquer une correction traitant les effets à N corps sur un sous-espace de basse énergie d’orbitales autour niveau de Fermi. La définition cohérente d’un tel sous-espace nécessite de tenir compte de la dynamique des électrons en-dehors de cet espace. Ces derniers, par exemple, réduisent la répulsion de Coulomb entre électrons dans le sous-espace. Néanmoins, combiner la DFT et la DMFT n’est pas aisé car les deux n’agissent pas sur la même observable. Dans la deuxième partie de cette thèse, nous étudions les modèles de basses énergies, comme la technique échange écranté + DMFT récemment proposée. Nous analysons l’importance de l’échange non-local et des interactions de Coulomb retardées, et illustrons cette théorie en l’appliquant aux états semi-cœur dans les métaux d10 Zn et Cd.Dans la dernière partie, nous utilisons ces méthodes pour étudier trois matériaux corrélés importants d’un point de vue technologique. Dans un premier temps, nous nous intéressons à la physique des mono-lacunes dans la phase paramagnétique du fer. De façon surprenante pour un défaut aussi simple, son énergie de formation n’a toujours pas été obtenue de manière cohérente par la théorie et l’expérience. Nous démontrons que cela est dû à de subtils effets de corrélations autour de la lacune dans la phase paramagnétique à haute température : cette phase est plus fortement corrélée que la phase ferromagnétique, où des calculs de DFT ont été faits.Dans un deuxième temps, nous étudions la transition métal-isolant dans la phase métastable VO2 B. Nous montrons que cette transition ressemble à celle entre la phase conventionnelle rutile et la phase M2 de VO2, mettant en jeu à la fois des liaisons covalentes dans les dimères et une transition de Mott sur les atomes V restants. Nous étudions également l’effet de lacunes d’oxygène sur la structure électronique de VO2.Enfin, nous proposons une technique au-delà de la DFT pour calculer le champ cristallin dans les oxydes et alliages de terres rares. Bien que l’amplitude de ce champ soit faible pour les orbitales localisées 4f des lanthanides, il est crucial pour leur caractère d’aimant permanent. En modifiant l’approximation Hubbard I pour résoudre les équations de DMFT, nous évitons une erreur d’auto-interaction faible en valeur absolue mais physiquement importante, démontrant l’importance de modèles de basse énergie correctement définis. / The topic of this thesis is the first-principles theory of the electronic structure of materials with strong electronic correlations. Tremendous progress has been made in this field thanks to modern implementations of Density Functional Theory (DFT). However, the DFT framework has some limits. First, it is designed to predict ground state but not excited state properties of materials, even though the latter may be just as important for many applications. Second, the approximate functionals used in actual calculations have more limited validity than conceptually exact DFT: in particular, they are not able to describe those materials where many-electron effects are most important.Since the 1990's, different many-body theories have been used to improve or complement DFT calculations of materials. One of the most significant non-perturbative methods is Dynamical Mean-Field Theory (DMFT), where a lattice model is self-consistently mapped onto an impurity model, producing good results if correlations are mostly local. We briefly review these methods in the first part of this thesis. Recent developments on DMFT and its extensions were aimed at better describing non-local effects, understanding out-of-equilibrium properties or describing real materials rather than model systems, among others. Here, we focus on the latter aspect.In order to describe real materials with DMFT, one typically needs to start with an electronic structure calculation that treats all the electrons of the system on the same footing, and apply a many-body correction on a well-chosen subspace of orbitals near the Fermi level. Defining such a low-energy subspace consistently requires to integrate out the motion of the electrons outside this subspace. Taking this into account correctly is crucial: it is, for instance, the screening by electrons outside the subspace strongly reduces the Coulomb interaction between electrons within the subspace. Yet it is a complex task, not least because DFT and DMFT are working on different observables. In the second part of this thesis, we discuss low-energy models in the context of the recently proposed Screened Exchange + DMFT scheme. In particular, we study the importance of non-local exchange and dynamically-screened Coulomb interactions. We illustrate this by discussing semi-core states in the d10 metals Zn and Cd.In the third and last part, we use the methods described above to study the electronic structure of three fundamentally and technologically important correlated materials. First, we discuss the physics of point defects in the paramagnetic phase of bcc Fe, more precisely the simplest of them: the monovacancy. Surprisingly for such a simple point defect, its formation energy had not yet been reported consistently from calculations and experiments. We show that this is due to subtle but nevertheless important correlation effects around the vacancy in the high-temperature paramagnetic phase, which is significantly more strongly correlated than the ferromagnetic phase where DFT calculations had been done.Second, we study the metal-insulator phase transition in the metastable VO2 B phase. We show that this transition is similar to that between the conventional rutile and M2 VO2 phases, involving both bonding physics in the dimer and an atom-selective Mott transition on the remaining V atoms. Motivated by recent calculations on SrVO3, we study the possible effect of oxygen vacancies on the electronic structure of VO2.Finally, we propose a scheme beyond DFT for calculating the crystal field splittings in rare earth intermetallics or oxides. While the magnitude of this splitting for the localized 4f shell of lanthanides does not typically exceed a few hundred Kelvin, it is crucial for their hard-magnetic properties. Using a modified Hubbard I approximation as DMFT solver, we avoid a nominally small but important self-interaction error, stressing again the importance of carefully tailored low-energy models.

Cette thèse porte sur l'étude de systèmes quantiques à N-corps à température nulle, où le comportement du système n'est alors soumis qu'aux effets quantiques. Je vais présenter ici une approche variationnelle développée avec Tommaso Roscilde, mon directeur de thèse, et Fabio Mezzacapo, mon co-encadrant de thèse, pour étudier ces systèmes.Cette approche se base sur une parametrisation de l’état quantique (dit Ansatz) à laquelle on applique une procédure d’optimisation variationnelle lui permettant de reproduire l'évolution d'un système soumis à l'équation de Schrödinger, tout en limitant le nombre de variables considérées. En considérant une évolution en temps imaginaire, il est possible d'étudier l'état fondamental d'un système. Je me suis ainsi intéressé à un modèle de chaîne XX de spins 1/2, dont les corrélations à longue portée rendent l'étude difficile, et adapté ainsi notre approche pour reproduire au mieux les corrélations et l'intrication du système. Je me suis ensuite intéressé au modèle J1-J2 dont la structure de signe non positive des coefficients de l’état quantique pose un défi important pour les approches Monte Carlo; et dans laquelle la frustration magnétique induit une transition de phase quantique (d’un état aux corrélations à longue porté vers un état non magnétique avec formation d’un cristal de lien de valence). Je me suis enfin intéressé à l'évolution temporelle d'un système à N-corps à partir d'un état non stationnaire. J'ai pu étudier la capacité de notre approche à reproduire la croissance linéaire de l’intrication dans le temps, ce qui est un obstacle fondamental pour les approches alternatives telles que le groupe de renormalisation de la matrice densité. / This thesis presents a study of quantum many-body systems at zero temperature, where the behavior of the system is purely driven by the quantum effects. I will introduce a variationnal approach developped with Tommaso Roscilde, my PhD supervisor, and Fabio Mezzacapo, my co-supervisor, in order to study these systems.This approach is based on a parametrisation of the quantum state (named Ansatz) on which we apply a variational optimisation, allowing us reproduce the system's evolution under Schrödinger's equation with a limited number of variables.By considering an imaginary-time evolution, it is possible to reconstruct the system's ground state. I focused on S=1/2 XX spin chain, where the long-range quantum correlations complicate a variational study; and I have specifically targeted our Ansatz in order to reproduce the correlations and the entanglement of the ground state. Moreover I considered the antiferromagnetic S=1/2 J1-J2 spin chain, where the non-trivial sign structure of the coefficients of the quantum state introduces an important challenge for the quantum Monte Carlo approach; and where the magnetic frustration induces a quantum phase transition (from a state with long range correlations to a non-magnetic state in the form of a valence-bond crystal).Finally I focused on the time evolution of a quantum many-body system starting from a non-stationary state. I studied the ability of our approach to reproduce the linear increase of the entanglement during time, which is a fondamental obstacle for other approaches such as the density-matrix renormalization group.

No description available.

This thesis deals with the following question: are there more eigenfunctions, other than the already known eigenfunctions, of the spin chain with elliptic interactions known as the Inozemtsev spin chain? The Inozemtsev spin chain interpolates between two quantum integrable spin chains, theHeisenberg spin chain and the Haldane-Shastry spin chain. Therefore it is interesting to explore eigenfunctions of the Inozemtsev spin chain in greater detail. Moreover, there exists connections between spin chains and their corresponding spinless continuum model, namely theCalogero-Sutherland models; a derivation of the connection between the Haldane-Shastry spin chain and the trigonometric interacting Calogero-Sutherland model is presented in this thesis. These connections state that the eigenfunctions of the Calogero-Sutherland model are also eigenfunctionsof the corresponding spin chain. An established connection between the Inozemtsev spin chain and the elliptic interacting Calogero-Sutherland model yields exact eigenfunctions with simple poles at coinciding arguments of the Inozemtsev spin chain. However, there are eigenfunctions of theelliptic Calogero-Sutherland model with second order zeros instead of simple poles at coinciding arguments. It is therefore interesting to see if a connection exists that relates the eigenfunctions of the elliptic Calogero-Sutherland model with second order zeros to eigenfunctionsof the Inozemtsev spin chain also with second order zeros. The main goal of this thesis is to explore eigenfunctions of the Inozemtsev spin chain with second order zeros for two magnons. This thesis uses analytical methods for finding these eigenfunctions and numerical methods have beenresorted to in the end. The numerical results indicate that the functions explored in this thesis fail to parametrise the eigenfunctions of the Inozemtsev spin chain, except for a few special cases. / Den här avhandlingen behandlar följande frågeställning: finns det fler egenfunktioner än de redan kända till spinnkedjan med elliptisk växelverkan känd som Inozemtsevs spinnkedja? Inozemtsevs spinnkedja interpolerar mellan Heisenbergs spinnkedja och Haldane-Shastrys spinnkedja som båda ärkvant-integrerbara. Därför är det intressant att vidare utforska egenfunktionerna hos Inozemtsevs spinnkedja. Det finns kopplingar mellan spinnkedjor och spinnfria en-dimensionella kontinuumsystem, nämligen Calogero-Sutherlands system; en sådan koppling mellan Haldane-Shastrysspinnkedja och Calogero-Sutherlands modell med trigonometrisk växelverkan härleds i denna avhandling. Dessa kopplingar konstaterar att egenfunktionerna för Calogero-Sutherland systemet är egenfunktioner för spinnkedjan också. En koppling existerar mellan Calogero-Sutherland modellen med elliptisk växelverkan och Inozemtsevs spinnkedja vilket ger exakta egenfunktioner hos Inozemtsevs modell med enkla poler vid sammanfallande argument. Däremot existerar det egenfunktioner till Calogero-Sutherland modellen med elliptisk växelverkan med andra ordningens nollor vid sammanfallande argument istället för enkla poler. Det är därför intressant att undersöka om det existerar en koppling mellan dessa två system med egenfunktioner med andra ordningens nollor; det här skulle då ge exakta egenfunktioner till Inozemtsevs spinnkedja med andra ordningens nollor. Detta är huvudsyftet med avhandlingen. Egenfunktioner med andra ordningens nollor för två magnoner undersöks. Avhandlingen använder sig av analytisk metod och har prövats med numeriska metoder. De numeriska resultaten indikerar att de undersökta funktionerna i denna avhandling misslyckas med att parametrisera egenfunktionerna till Inozemtsevs spinnkedja förutom vissa specifika fall.

Disordered quantum many-body systems exhibiting the many-body localization (MBL) phenomenon evade the fate of thermalization due to the existence of an extensively large set of quasi-local integrals of motion (l-bits). Due to the size of the Hilbert space of many-body systems, it is hard to compute the time evolution of many-body systems generally, which hinders our understanding of the MBL phenomenon. Recently it has been proposed in Ref. [1] to time evolve local density matrices of lattice system with short-range interactions using the Petz recovery map. By time evolving local density matrices, information encoded in long-range entanglement that is irrelevant to the time-evolution of local observables is discarded. This method is promising for MBL-systems, primarily because it can be implemented to conserve local constants of the motion. For the case of a MBL system, this means that the l-bits can be (approximately) conserved. This thesis employs the Petz recovery map to time evolve local density matrices of localized 1D lattice systems, modeled by the Aubry-André Hamiltonian. The accuracy of the method is evaluated and the results are used to study the flow of information between subsystems. It is found that the method can accurately time evolve localized density matrices for an Anderson localized system to arbitrary times. For interacting systems, it is shown that the method is accurate for long time if the system is sufficiently localized. Furthermore, the solutions for the local density matrices exhibit the information spread behavior that is predicted by the l-bit theory of the many-body localized phase: both the logarithmic ”light” cone of entanglement and the dephasing dynamics are observed. This work shows that time evolution of local density matrices is a promising method in the pursuit of a better understanding of the nature of localized systems. / I oordnade kvantmekansika mångpartikelsystem förekommer en lokaliserad fas (MBL). System i denna fas undkommer termalisering då det existerar ett extensivt antal kvasi-lokala rörelsekonstanter (l-bitar). Som en följd av Hilbert-rummets storlek för mångpartikelsystem är det svårt att tidsutveckla mångpartikeltillstånd i allmänhet, vilket gör det svårt att undersöka MBL-fenomenet. Det har nyligen föreslagits i Ref. [1] att tidsutveckla lokala täthetsmatriser för växelverkande endimensionella gittersystem med hjälp av Petzs återställningsfunktion. Genom att tidsutveckla lokala täthetsmatriser förkastas information som inte är relevant för lokala observabler. Metoden är lovande för MBL-system då den kan implementeras så att lokala rörelsekonstanter konserveras. Detta innebär för MBL-system att l-bitarna kan konserveras approximativt. I detta arbete används Petzs återställningsfunktion för att tidsutveckla lokala täthetsmatriser i lokaliserade endimensionella gittersystem. Metodens nogrannhet utvärderas och de resulterande tidsserierna används för att studera informationsspridning mellan delsystem. Arbetet visar att Andersonlokaliserade system kan tidsutvecklas med god nogrannhet till godtyckligt långa tider. Vidare visas att metoden nogrannt kan tidsutveckla MBL-system till långa tider, givet att lokaliseringslängden är kort nog. Slutligen används metoden för att studera informationsflödet mellan delsystem, och resultaten återskapar det beteende som väntas från den fenomenologiska l-bitteorin: informationen sprids logaritmiskt över tid och avfasningsdynamik observeras. Arbetet visar att den föreslagna metoden är lovande i jakten på en utökad förståelse av MBL-system.

The binary neutron star merger of 2017 and its corresponding electromagnetic signature resembling that of a kilonova has been one of the most groundbreaking astrophysical occurrences in the last decade. Indications of r-process nucleosynthesis in this event presents new opportunities for learning about the astrophysical origin of heavy elements. This has been a long-standing mystery in our understanding of the chemical evolution of the universe. This leads to the requirement of developing more accurate calculations of the corresponding atomic properties. In this work, I have studied the potential of utilizing a combined configuration-interaction and many-body perturbation theory approach.The goal is to study if a generalized and computationally efficient method is possible with this approach, so that it can be used to develop accurate and complete atomic structures applicable to any ion of any element in the periodic table. Focusing on the lanthanide group of elements, and in Ce in particular, the method in this work builds on including the bulk of strong correlation contributions in the configuration-interaction model, complemented with perturbation theory corrections in subsequent many-body perturbation theory calculations. For all Ce ions, this was however not possible without having to compromise the completeness condition. In conclusion, in the scope of this project, we find that it is challenging to generalize a procedure for near-neutral systems due to the amount of correlation needed to be treated with configuration-interaction. / <p>Project made as part of the course: "Project in physics and astronomy - 1FA195, 15 ECTS" at Uppsala University</p>

Phase transitions are fundamental phenomena in (quantum) many-body systems. They are associated with changes in the macroscopic physical properties of the system in response to the alteration in the conditions controlled by one or more parameters, like temperature or coupling constants. Quantum phase transitions are particularly intriguing as they reveal new insights into the fundamental nature of matter and the laws of physics. The study of phase transitions in such systems is crucial in aiding our understanding of how materials behave in extreme conditions, which are difficult to replicate in laboratory, and also the behavior of exotic states of matter with unique and potentially useful properties like superconductors and superfluids. Moreover, this understanding has other practical applications and can lead to the development of new materials with specific properties or more efficient technologies, such as quantum computers. Hence, detecting the transition point from one phase of matter to another and constructing the corresponding phase diagram is of great importance for examining many-body systems and predicting their response to external perturbations. Traditionally, phase transitions have been identified either through analytical methods like mean field theory or numerical simulations. The pinpointing of the critical value normally involves the measure of specific quantities such as local observables, correlation functions, energy gaps, etc. reflecting the changes in the physics through the transition. However, the latter approach requires prior knowledge of the system to calculate the order parameter of the transition, which is uniquely associated to its universality class. Recently, another method has gained more and more attention in the physics community. By using raw and very general representative data of the system, one can resort to machine learning techniques to distinguish among patterns within the data belonging to different phases. The relevance of these techniques is rooted in the ability of a properly trained machine to efficiently process complex data for the sake of pursuing classification tasks, pattern recognition, generating brand new data and even developing decision processes. The aim of this thesis is to explore phase transitions from this new and promising data-centric perspective. On the one hand, our work is focused on the developement of new machine learning architectures using state-of-the-art and interpretable models. On the other hand, we are interested in the study of the various possible data which can be fed to the artificial intelligence model for the mapping of a quantum many-body system phase diagram. Our analysis is supported by numerical examples obtained via matrix-product-states (MPS) simulations for several one-dimensional zero-temperature systems on a lattice such as the XXZ model, the Extended Bose-Hubbard model (EBH) and the two-species Bose Hubbard model (BH2S). In Part I, we provide a general introduction to the background concepts for the understanding of the physics and the numerical methods used for the simulations and the analysis with deep learning. In Part II, we first present the models of the quantum many-body systems that we study. Then, we discuss the machine learning protocol to identify phase transitions, namely anomaly detection technique, that involves the training of a model on a dataset of normal behavior and use it to recognize deviations from this behavior on test data. The latter can be applied for our purpose by training in a known phase so that, at test-time, all the other phases of the system are marked as anomalies. Our method is based on Generative Adversarial Networks (GANs) and improves the networks adopted by the previous works in the literature for the anomaly detection scheme taking advantage of the adversarial training procedure. Specifically, we train the GAN on a dataset composed of bipartite entanglement spectra (ES) obtained from Tensor Network simulations for the three aforementioned quantum systems. We focus our study on the detection of the elusive Berezinskii-Kosterlitz-Thouless (BKT) transition that have been object of intense theoretical and experimental studies since its first prediction for the classical two-dimensional XY model. The absence of an explicit symmetry breaking and its gappless-to-gapped nature which characterize such a transition make the latter very subtle to be detected, hence providing a challenging testing ground for the machine-driven method. We train the GAN architecture on the ES data in the gapless side of BKT transition and we show that the GAN is able to automatically distinguish between data from the same phase and beyond the BKT. The protocol that we develop is not supposed to become a substitute to the traditional methods for the phase transitions detection but allows to obtain a qualitative map of a phase diagram with almost no prior knowledge about the nature and the arrangement of the phases -- in this sense we refer to it as agnostic -- in an automatic fashion. Furthermore, it is very general and it can be applied in principle to all kind of representative data of the system coming both from experiments and numerics, as long as they have different patterns (even hidden to the eye) in different phases. Since the kind of data is crucially linked with the success of the detection, together with the ES we investigate another candidate: the probability density function (PDF) of a globally U(1) conserved charge in an extensive sub-portion of the system. The full PDF is one of the possible reductions of the ES which is known to exhibit relations and degeneracies reflecting very peculiar aspects of the physics and the symmetries of the system. Its patterns are often used to tell different kinds of phases apart and embed information about non-local quantum correlations. However, the PDF is measurable, e.g. in quantum gas microscopes experiments, and it is quite general so that it can be considered not only in the cases of the study but also in other systems with different symmetries and dimensionalities. Both the ES and the PDF can be extracted from the simulation of the ground state by dividing the one-dimensional chain into two complementary subportions. For the EBH we calculate the PDF of the bosonic occupation number in a wide range of values of the couplings and we are able to reproduce the very rich phase diagram containing several phases (superfluid, Mott insulator, charge density wave, phase separation of supersolid and superfluid and the topological Haldane insulator) just with an educated gaussian fit of the PDF. Even without resorting to machine learning, this analysis is instrumental to show the importance of the experimentally accessible PDF for the task. Moreover, we highlight some of its properties according to the gapless and gapped nature of the ground state which require a further investigation and extension beyond zero-temperature regimes and one-dimensional systems. The last chapter of the results contains the description of another architecture, namely the Concrete Autoencoder (CAE) which can be used for detecting phase transitions with the anomaly detection scheme while being able to automatically learn what the most relevant components of the input data are. We show that the CAE can recognize the important eigenvalues out of the entire ES for the EBH model in order to characterize the gapless phase. Therefore the latter architecture can be used to provide not only a more compact version of the input data (dimensionality reduction) -- which can improve the training -- but also some meaningful insights in the spirit of machine learning interpretability. In conclusion, in this thesis we describe two advances in the solution to the problem of phase recognition in quantum many-body systems. On one side, we improve the literature standard anomaly detection protocol for an automatic and agnostic identification of the phases by employing the GAN network. Moreover, we implement and test an explainable model which can make the interpretation of the results easier. On the other side we put the focus on the PDF as a new candidate quantity for the scope of discerning phases of matter. We show that it contains a lot of information about the many-body state being very general and experimentally accessible.

Abstract Iris The power of quantum computing lies in its ability to perform certain calculations and solve complex problems exponentially faster than classical computers. This potential has profound implications for a wide range of fields, including particle physics. This thesis lays a fundamental foundation for understanding quantum computing. Particular emphasis is placed on the intricate process of quantum gate decomposition, an elementary lynchpin that underpins the development of quantum algorithms and plays a crucial role in this research. In particular, this concerns the implementation of quantum algorithms designed to simulate the dynamic evolution of multi-particle quantum systems - so-called Hamiltonian simulations. The concept of quantum gate decomposition is introduced and linked to quantum circuit optimisation. The decomposition of quantum gates plays a crucial role in fault-tolerant quantum computing in the sense that an optimal implementation of a quantum gate is essential to efficiently perform a quantum simulation, especially for near-term quantum computers. Part of this thesis aims to propose a new explicit tensorial notation of quantum computing. Two notations are commonly used in the literature. The first is the Dirac notation and the other standard formalism is based on the so-called computational basis. The main disadvantage of the latter is the exponential growth of vector and matrix dimensions and the fact that it hides some relevant quantum properties of the operations by increasing the apparent number of independent variables. A third possible notation is introduced here, which describes qubit states as tensors and quantum gates as multilinear or quasi-multilinear maps. Some advantages for the detection of separable and entangled systems and for measurement techniques are also shown. Finally, this thesis demonstrates the advantage of quantum computing in the description of multi-particle quantum systems by proposing a quantum algorithm to simulate collective neutrino oscillations. Collective flavour oscillations of neutrinos due to forward neutrino-neutrino scattering provide an intriguing many-body system for time evolution simulations on a quantum computer. These phenomena are of particular interest in extreme astrophysical settings such as core-collapse supernovae, neutron star mergers and the early universe. A detailed description of the physical phenomena and environments in which collective flavor oscillations occur is first reported, and the derivation of the Hamiltonian governing the evolution of flavor oscillations is detailed. The aim is to reproduce this evolution using a quantum algorithm. To manage the computational complexity, we use the Trotter approximation of the time evolution operator, which mitigates the exponential growth of circuit complexity. The quantum algorithm was designed to work on a trapped-ion based testbed (the theory of which is presented in detail). After machine-aware optimisation, the quantum circuit implementing the algorithm was run on the real quantum machine 'Quantinuum', and the results are presented and discussed.

No description available.