In the last few decades, the study of many-body quantum systems far from equilibrium has risen to prominence, with exciting developments on both experimental and theoretical physics fronts. In this dissertation, we will focus particularly on the adiabatic gauge potential (AGP), which is the generator of adiabatic deformations between quantum eigenstates and also related to "fidelity susceptibility", as our lens into the general phenomenon. In the first two projects, the AGP is studied in the context of counter-diabatic driving protocols which present a way of generating adiabatic dynamics at an arbitrary pace. This is quite useful as adiabatic evolution, which is a common strategy for manipulating quantum states, is inherently a slow process and is, therefore, susceptible to noise and decoherence from the environment. However, obtaining and implementing the AGP in many-body systems is a formidable task, requiring knowledge of the spectral properties of the instantaneous Hamiltonians and control of highly nonlocal multibody interactions. We show how an approximate gauge potential can be systematically built up as a series of nested commutators, remaining well-defined in the thermodynamic limit. Furthermore, the resulting counter-diabatic driving protocols can be realized up to arbitrary order without leaving the available control space using tools from periodically-driven (Floquet) systems. In the first project, this driving protocol was successfully implemented on the electronic spin of a nitrogen vacancy in diamond as a proof of concept and in the second project, it was extended to many-body systems, where it was shown the resulting Floquet protocols significantly suppress dissipation and provide a drastic increase in fidelity. In the third project, the AGP is studied in the context of quantum chaos wherein it is found to be an extremely sensitive probe. We are able to detect transitions from non-ergodic to ergodic behavior at perturbation strengths orders of magnitude smaller than those required for standard measures. Using this alternative probe in two generic classes of spin chains, we show that the chaotic threshold decreases exponentially with system size and that one can immediately detect integrability-breaking (chaotic) perturbations by analyzing infinitesimal perturbations even at the integrable point. In some cases, small integrability-breaking is shown to lead to anomalously slow relaxation of the system, exponentially long in system size. This work paves the way for further studies in various areas such as quantum computation, quantum state preparation and quantum chaos.

This dissertation contains four projects: transforming electronic structure Hamiltonian to approximating Ising-type Hamiltonian to enable electronic structure calculations by quantum annealing, quantum-assisted restricted Boltzmann machine for electronic structure calculations, hybrid quantum classical neural network for calculating ground state energies of molecules and qubit coupled cluster single and double excitations variational quantum eigensolver for electronic structure. In chapter 1 we present a general introduction of quantum computer, including a brief introduction of two quantum computing model: gate model and quantum annealing model. We also give a general review about electronic structure calculations on quantum computer. In chapter 2, we show an approximating mapping between the electronic structure Hamiltonian and the Ising Hamiltonian. The whole mapping is enabled by first enlarging the qubits space to transform the electronic structure Hamiltonian to a diagonal Hamiltonian. Then introduce ancilla qubits to transform the diagonal Hamiltonian to an Ising-type Hamiltonian. We also design an algorithm to use the transformed Hamiltonian to obtain the approximating ground energy of the original Hamiltonian. The numerical simulation results of the transformed Hamiltonian for H₂, He₂, HeH⁺, and LiH molecules match the exact numerical calculations of the original Hamiltonian. This demonstrates that one can map the molecular Hamiltonian to an Ising-type Hamiltonian which could easily be implemented on currently available quantum hardware. In chapter 3, we report a hybrid quantum algorithm employing a restricted Boltzmann machine to obtain accurate molecular potential energy surfaces. By exploiting a quantum algorithm to help optimize the underlying objective function, we obtained an efficient procedure for the calculation of the electronic ground state energy for a small molecule system. Our approach achieves high accuracy for the ground state energy for H₂, LiH, H₂O at a specific location on its potential energy surface with a finite basis set. With the future availability of larger-scale quantum computers, quantum machine learning techniques are set to become powerful tools to obtain accurate values for electronic structures. In chapter 4, we present a hybrid quantum classical neural network that can be trained to perform electronic structure calculation and generate potential energy curves of simple molecules. The method is based on the combination of parameterized quantum circuit and measurements. With unsupervised training, the neural network can generate electronic potential energy curves based on training at certain bond lengths. To demonstrate the power of the proposed new method, we present results of using the quantum-classical hybrid neural network to calculate ground state potential energy curves of simple molecules such as H₂, LiH and BeH₂. The results are very accurate and the approach could potentially be used to generate complex molecular potential energy surfaces. In chapter 5, we introduce a new variational quantum eigensolver (VQE) ansatz based on the particle preserving exchange gate to achieve qubit excitations. The proposed VQE ansatz has gate complexity up-bounded to O(<i>n</i>⁴) where <i>n</i> is the number of qubits of the Hamiltonian. Numerical results of simple molecular systems such as BeH₂, H₂O, N₂, H₄ and H₆ using the proposed VQE ansatz gives very accurate results within errors about 10^-3 Hartree.

Quantum Computation and Information requires high accuracy in gate control despite noises and imperfections from the environment and physical implementation. Here we introduce an SCQC Formalism based on dynamical decoupling and reverse engineering. Space Curve Quantum Control Formalism discovers the tight connections between quantum, geometric, and classical systems. We are able to use such connections to build noise-canceling, precise control, and time-optimal arbitrary gates. / Doctor of Philosophy / Quantum Computation and Information is a fast-developing technology and its application is within reach. But errors due to noises in the environment and imperfections from physical implementation are roadblocks to the practical application. In this thesis, we will introduce the Space Curve Quantum Control Formalism, which builds connections between Geometric, Quantum, and Classical pictures. We utilize these connections to build noise-robust quantum gates and time-optimal gates.

In this thesis, we generate a lower bound on the security of quantum protocols for secure function evaluation. Central to our proof is the concept of gentle measurements of quantum states, which do not greatly disturb a quantum state if a certain outcome is obtained with high probability. We show how a cheating party can leverage gentle measurements to learn more information than should be allowable. To quantify our lower bound, we reduce a specific cryptographic task known as die-rolling to secure function evaluation and use the concept of gentle measurements to relate their security notions. Our lower bound is then obtained using a known security bound for die-rolling known as Kitaev's bound. Due to the generality of secure function evaluation, we are able to apply this lower bound to obtain lower bounds on the security of quantum protocols for many quantum tasks. In particular, we provide lower bounds for oblivious transfer, XOR oblivious transfer, the equality function, the inner product function, Yao's millionaires' problem, and the secret phrase problem. Note that many of these lower bounds are the first of their kind, which is a testament to the utility of our lower bound. As a consequence, these bounds prove that unconditional security for quantum protocols is impossible for these applications, and since these are constant lower bounds, this rules out any form of boosting toward perfect security. Our work lends itself to future research on designing optimal protocols for the above listed tasks, and potentially others, by providing constant lower bounds to approximate or improve. / Master of Science / Quantifying the cryptographic security of quantum applications is the focus of much research in the quantum cryptography discipline. Quantum protocols might have better security than their classical counterparts, and this advantage might make the adoption of quantum cryptographic protocols a viable option. In this thesis, we introduce a method for generating constant lower bounds on the security of a variety of quantum applications. This is accomplished through finding a lower bound on the security of a protocol that is general, and by virtue of its generality, can be scoped to quantum applications such that the lower bound can be applied, and constant lower bounds generated for these applications. The significance of the work in this thesis is that many of the constant lower bounds presented are the first of their kind for these quantum applications, thus proving the impossibility of them having unconditional security. This also proves that one cannot asymptotically boost towards perfect security in these quantum tasks by any means. These constant lower bounds also provide a foundation for future work in the study of these quantum applications, specifically in the search for upper and lower bounds on their cryptographic security, as well as in the search for protocols that approximate these bounds.

The 20th century saw the first revolution of quantum mechanics, setting the rules for our understanding of light, matter, and their interaction. The 21st century is focused on using these quantum mechanical laws to develop technologies which allows us to solve challenging practical problems. One of the directions is the use quantum devices which promise to surpass the best computers and best known classical algorithms for solving certain tasks. Crucial to the design of realistic devices and technologies is to account for the open nature of quantum systems and to cope with their interactions with the environment. In the first part of this dissertation, we show how to tackle classical optimization problems of interest in the physical sciences within one of these quantum computing paradigms, known as quantum annealing (QA). We present the largest implementation of QA on a biophysical problem (six different experiments with up to 81 superconducting quantum bits). Although the cases presented here can be solved on a classical computer, we present the first implementation of lattice protein folding on a quantum device under the Miyazawa-Jernigan model. This is the first step towards studying optimization problems in biophysics and statistical mechanics using quantum devices. In the second part of this dissertation, we focus on the problem of excitonic energy transfer. We provide an intuitive platform for engineering exciton transfer dynamics and we show that careful consideration of the properties of the environment leads to opportunities to engineer the transfer of an exciton. Since excitons in nanostructures are proposed for use in quantum information processing and artificial photosynthetic designs, our approach paves the way for engineering a wide range of desired exciton dy- namics. Finally, we develop the theory for a two-dimensional electronic spectroscopic technique based on fluorescence (2DFS) and challenge previous theoretical results claiming its equivalence to the two-dimensional photon echo (2DPE) technique which is based on polarization. Experimental realization of this technique confirms our the- oretical predictions. The new technique is more sensitive than 2DPE as a tool for conformational determination of excitonically coupled chromophores and o↵ers the possibility of applying two-dimensional electronic spectroscopy to single-molecules.

<p dir="ltr">The two-dimensional electron gas (2DEG) in shallow InAs quantum wells, combined with epitaxial aluminum, is commonly used to study topological superconductivity. Key features include strong spin-orbit coupling, a high effective g-factor, and the ability to manage proximity-induced superconductivity. My thesis discusses two aspects of this unique material. In the first section, I report on the transport characteristics of shallow InGaAs/InAs/InGaAs quantum wells and evaluate the effect of modulation doping on these shallow InAs quantum well structures. We systematically investigate the magnetotransport properties in relation to doping density and spacer thickness. Optimized samples show peak mobilities exceeding 100,000 cm²/Vs at n_2DEG < 10¹²cm^-2 in gated Hall bar, marking the highest mobility observed in this type of heterostructure. Our findings suggest that the doping layer moves the electron wave function away from the surface, minimizing surface scattering and enhancing mobility. This mobility improvement does not compromise Rashba spin-orbit coupling or induced superconductivity. In the second section, motivated by a theoretical study by Peng et al., we explore tunneling spectroscopy measurements on DC current biased planar Josephson junctions made on an undoped hybrid epitaxial Al-InAs 2DEG heterostructure. We observe four tunneling conductance peaks in the spectroscopy that can be adjusted by DC current bias. Our analysis indicates that these results come from strong coupling between the tunneling probe and the superconducting leads, rather than from Floquet engineering. We also touch on potential improvements to the device's design and materials. This work lays the groundwork for further investigation of Floquet physics in planar Josephson junctions. This thesis ends with a discussion of other unusual physics that could be explored in these novel shallow InAs quantum wells coupled with epitaxial aluminum.</p>

In thinking about quantum causality one would like to approach rigorous QFT from outside the perspective of QFT, which one expects to recover only in a specific physical domain of quantum gravity. This thesis considers issues in causality using Category Theory, and their application to field theoretic observables. It appears that an abstract categorical Machian principle of duality for a ribbon graph calculus has the potential to incorporate the recent calculation of particle rest masses by Brannen, as well as the Bilson-Thompson characterisation of the particles of the Standard Model. This thesis shows how Veneziano n point functions may be recovered in such a framework, using cohomological techniques inspired by twistor theory and recent MHV techniques. This distinct approach fits into a rich framework of higher operads, leaving room for a generalisation to other physical amplitudes. The utility of operads raises the question of a categorical description for the underlying physical logic. We need to consider quantum analogues of a topos. Grothendieck's concept of a topos is a genuine extension of the notion of a space that incorporates a logic internal to itself. Conventional quantum logic has yet to be put into a form of equal utility, although its logic has been formulated in category theoretic terms. Axioms for a quantum topos are given in this thesis, in terms of braided monoidal categories. The associated logic is analysed and, in particular, elements of linear vector space logic are shown to be recovered. The usefulness of doing so for ordinary quantum computation was made apparent recently by Coecke et al. Vector spaces underly every notion of algebra, and a new perspective on it is therefore useful. The concept of state vector is also readdressed in the language of tricategories.

A fundamental component of theoretical computer science is the application of logic. Logic provides the formalisms by which we can model and reason about computational questions, and novel computational features provide new directions for the development of logic. From this perspective, the unusual features of quantum computation present both challenges and opportunities for computer science. Our existing logical techniques must be extended and adapted to appropriately model quantum phenomena, stimulating many new theoretical developments. At the same time, tools developed with quantum applications in mind often prove effective in other areas of logic and computer science. In this thesis we explore logical aspects of this fruitful source of ideas, with category theory as our unifying framework. Inspired by the success of diagrammatic techniques in quantum foundations, we begin by demonstrating the effectiveness of string diagrams for practical calculations in category theory. We proceed by example, developing graphical formulations of the definitions and proofs of many topics in elementary category theory, such as adjunctions, monads, distributive laws, representable functors and limits and colimits. We contend that these tools are particularly suitable for calculations in the field of coalgebra, and continue to demonstrate the use of string diagrams in the remainder of the thesis. Our coalgebraic studies commence in chapter 3, in which we present an elementary formulation of a representation result for the unitary transformations, following work developed in a fibrational setting in [Abramsky, 2010]. That paper raises the question of what a suitable "fibred coalgebraic logic" would be. This question is the starting point for our work in chapter 5, in which we introduce a parameterized, duality based frame- work for coalgebraic logic. We show sufficient conditions under which dual adjunctions and equivalences can be lifted to fibrations of (co)algebras. We also prove that the semantics of these logics satisfy certain "institution conditions" providing harmony between syntactic and semantic transformations. We conclude by studying the impact of parameterization on another logical aspect of coalgebras, in which certain fibrations of predicates can be seen as generalized invariants. Our focus is on the lifting of coalgebra structure along a fibration from the base category to an associated total category of predicates. We show that given a suitable parameterized generalization of the usual liftings of signature functors, this induces a "fibration of fibrations" capturing the relationship between the two different axes of variation.

Este projeto se destina ao estudo de sistemas quânticos não relativísticos de dois, quatro e oito níveis de energia que descrevem partículas com spin s=1/2 sujeitas à ação de campos externos e interagentes entre si. São apresentadas soluções exatas para as equações que regem esses sistemas. Tais sistemas possuem uma vasta aplicação em diversas áreas da física, dentre as quais é possível destacar a computação quântica. Possíveis aplicações dos resultados são a construção de portas lógicas quânticas universais. Estas portas lógicas quânticas representam um elemento essencial no desenvolvimento dos chamados computadores quânticos. A análise e a implementação destes computadores quânticos exige a manipulação de sistemas de vários níveis, sujeitos a campos externos dependentes do tempo. Neste trabalho é apresentada a solução para o assim chamado Problema de Rabi, um particular problema de dois níveis. Um exemplo de solução para o sistema de quatro níveis, aqui relativo a um problema de dois spins também é discutido. Foram obtidas soluções exatas para sistemas de oito níveis cuja possível aplicação é a Correção Quântica de Erros. / This project aims to study the non-relativistic quantum systems of two, four and eight energy levels that describe particles with spin s=1/2 in external .elds and interacting with each other. We find exact analitical solutions for these systems. Such systems have extensive applications in various areas of physics, among which its possible to highlight quantum computing. Possible applications of the results are the construction of quantum universal logic gates.These quantum logic gates are an essential element in the development of so-called quantum computers. The analysis and implementation of quantum computers requires handling systems of various levels, subject to time-dependent external fields. This work presents a solution to the so-called Rabi problem, a particular problem at two levels. An example of a solution to the system of four levels, related to two spins problem is also investigated. We obtained exact solutions for systems of eight levels with possible application to the Quantum Error Correction.

Ocorre atualmente um movimento de aumento da importância que a manutenção da segurança da informação vem adquirindo em redes de informação de crítica. Ao longo das últimas décadas a utilização de ferramentas criptográficas, especialmente aquelas baseadas em problemas de díficil solução computacional, foram suficientes para garantir a segurança dos sistemas de comunicação. Contudo, o desenvolvimento da nova técnica de processamento de informação conhecida como computação quântica e os resultados téoricos e experimentais apresentados por esta mostram que é possível inviabilizar alguns dos sistemas de criptografia atuais amplamente utilizados. A existência de tal vulnerabilidade representa um fator crítico em redes em que falhas de segurança da informação podem estar associadas a riscos de segurança física. Uma alternativa para os métodos criptográficos atuais consiste na utilização de sistemas quânticos na obtenção de um método criptográfico, o que se conhece como criptografia quântica. Este novo paradigma tem seu fundamento resistente mesmo na presença de capacidade tecnológica ilimitada, incluindo o cenário com disponibilidade de computação quântica. Este trabalho tem como objetivo levantar os impactos que o desenvolvimento da computação quântica têm sobre a segurança dos atuais sistemas criptográficos, apresentar e desenvolver alternativas de protocolos de criptografia quântica disponíveis, e realizar um estudo de caso por meio da avaliação da utilização de criptografia quântica no contexto da Aeronautical Telecommunication Network (ATN). Isto é feito por meio do desenvolvimento de um ambiente de simulacão que permite avaliar o comportamento de um protocolo de criptografia quântica em um cenário em um ambiente com requisitos de missão crítica, como é o caso da ATN. / The importance of security maintenance in critical information networks has been rising in recent times. Over the past decades, the utilization of cryptography tools, mainly those based on computationally intractable problems, was enough to ensure the security of communications systems. The development of the new information processing technique known as quantum computation and the theoretical and experimental results showed by this approach demonstrated that could be possible to cripple the current widely used cryptography techniques. This vulnerability represents a critical issue for networks where a security fault could be associated to a safety fault. An alternative for the current cryptography methods consists in the utilization of quantum systems to obtain a new cryptographic method. The new paradigm presented by this approach has solid principles even in the presence of unlimited computational capacity, including the scenario with availability of quantum computation. The aim of this work is the assessment of impacts that the development of quantum computation has over the current cryptographic methods security, the presentation and development of alternatives based on quantum cryptography protocols, and the development of a case study using the case of Aeronautical Telecommunication Network (ATN). This aim is reached by means of the development of a simulation environment that allows the evaluation of a quantum cryptography protocol behavior in an environment with mission critical requirements, like the ATN case.