Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we study the application of quantum computers to computational problems in science and engineering, and to combinatorial optimization problems. We outline the results below. Algorithms for scientific computing require modules, i.e., building blocks, implementing elementary numerical functions that have well-controlled numerical error, are uniformly scalable and reversible, and that can be implemented efficiently. We derive quantum algorithms and circuits for computing square roots, logarithms, and arbitrary fractional powers, and derive worst-case error and cost bounds. We describe a modular approach to quantum algorithm design as a first step towards numerical standards and mathematical libraries for quantum scientific computing. A fundamental but computationally hard problem in physics is to solve the time-independent Schrödinger equation. This is accomplished by computing the eigenvalues of the corresponding Hamiltonian operator. The eigenvalues describe the different energy levels of a system. The cost of classical deterministic algorithms computing these eigenvalues grows exponentially with the number of system degrees of freedom. The number of degrees of freedom is typically proportional to the number of particles in a physical system. We show an efficient quantum algorithm for approximating a constant number of low-order eigenvalues of a Hamiltonian using a perturbation approach. We apply this algorithm to a special case of the Schrödinger equation and show that our algorithm succeeds with high probability, and has cost that scales polynomially with the number of degrees of freedom and the reciprocal of the desired accuracy. This improves and extends earlier results on quantum algorithms for estimating the ground state energy. We consider the simulation of quantum mechanical systems on a quantum computer. We show a novel divide and conquer approach for Hamiltonian simulation. Using the Hamiltonian structure, we can obtain faster simulation algorithms. Considering a sum of Hamiltonians we split them into groups, simulate each group separately, and combine the partial results. Simulation is customized to take advantage of the properties of each group, and hence yield refined bounds to the overall simulation cost. We illustrate our results using the electronic structure problem of quantum chemistry, where we obtain significantly improved cost estimates under mild assumptions. We turn to combinatorial optimization problems. An important open question is whether quantum computers provide advantages for the approximation of classically hard combinatorial problems. A promising recently proposed approach of Farhi et al. is the Quantum Approximate Optimization Algorithm (QAOA). We study the application of QAOA to the Maximum Cut problem, and derive analytic performance bounds for the lowest circuit-depth realization, for both general and special classes of graphs. Along the way, we develop a general procedure for analyzing the performance of QAOA for other problems, and show an example demonstrating the difficulty of obtaining similar results for greater depth. We show a generalization of QAOA and its application to wider classes of combinatorial optimization problems, in particular, problems with feasibility constraints. We introduce the Quantum Alternating Operator Ansatz, which utilizes more general unitary operators than the original QAOA proposal. Our framework facilitates low-resource implementations for many applications which may be particularly suitable for early quantum computers. We specify design criteria, and develop a set of results and tools for mapping diverse problems to explicit quantum circuits. We derive constructions for several important prototypical problems including Maximum Independent Set, Graph Coloring, and the Traveling Salesman problem, and show appealing resource cost estimates for their implementations.

This thesis explores the synthesis and characterisation of a range of molecular wheels containing unpaired electron spins. These molecular spin systems are of considerable interest, both for the insight they provide into the physics of such systems and for their potential as quantum bits ("qubits") in a quantum information processing device. In particular, this thesis explores using these wheels to meet criteria 1 and 5 of the DiVincenzo criteria. The synthesis of a novel homometallic and nonametallic ring of CrIII ions is introduced, along with extensive physical characterisation. Inelastic Neutron Scattering measurements suggest that the molecule has an almost degenerate S = 1/2 ground state with only 0.1 meV separation, making this ring a near perfect example of a Type I frustrated spin system. Chemical modification of the heterometallic {Cr7M} family of wheels with both hard and soft Lewis base functionality is also explored. Using a triphenylphosphine derivative, the coordination chemistry of a highly sterically hindered mono-substituted triphenylphosphine derivative with gold is explored, yielding new arrangements of the wheels. Changes in the electronic and steric properties of the system are studied by a combination of 31P NMR spectroscopy and DFT modelling, revealing dramatic changes in the phosphorus donor properties. The effect of this ligand substitution on the anisotropy tensor of CoII contained in a heterometallic {Cr7Co} ring is explored using variable temperature 1H NMR spectroscopy. Using a combination of the experimentally observed 1H NMR dipolar shifts and computational modelling, a significant change in the anisotropy tensor of the cobalt is found. Finally, as part of a g-engineering approach to qubit design the chemistry of the octametallic {Cr7Ni} ring functionalised with triphenylphosphine oxide is introduced. Initial efforts towards developing a hybrid {Cr7Ni}2Ln (Ln = Gd, Eu) qubit system, along with characterisation by EPR and luminescence spectroscopy, suggest that this may be a route to developing a qubit with the capacity for optical control of the communication.

Quantum cryptography offers a wonderful source for current and future research. The idea started in the early 1970s, and it continues to inspire work and development toward a popular goal, large-scale communication networks with strong security guarantees, based on quantum-mechanical properties. Quantum cryptography builds on the idea of exploiting physical properties to establish secure cryptographic operations. A particular quantum-based protocol has gathered interest in recent years for its use of mesoscopic coherent states. The AlphaEta protocol has been designed to exploit properties of coherent states of light to transmit data securely over an optical channel. AlphaEta aims to draw security from the uncertainty of any measurement of the transmitted coherent states due to intrinsic quantum noise. We propose a framework to combine this protocol with classical preprocessing, taking into account error-correction for the optical channel and establishing a strong provable security guarantee. Integrating a state-of-the-art solution for fast authenticated encryption is straightforward, but in this case the security analysis requires heuristic reasoning. / Includes bibliography. / Dissertation (Ph.D.)--Florida Atlantic University, 2019. / FAU Electronic Theses and Dissertations Collection

This thesis presents a model of Quantum Cellular Automata (QCA). The presented formalism is a natural quantization of the classical Cellular Automata (CA). It is based on a lattice of qudits, and an update rule consisting of local unitary operators that commute with their own lattice translations. One purpose of this model is to act as a theoretical model of quantum computation, similar to the quantum circuit model. The main advantage that QCA have over quantum circuits is that QCA make considerably fewer demands on the underlying hardware. In particular, as opposed to direct implementations of quantum circuits, the global evolution of the lattice in the QCA model does not assume independent control over individual \emph{qudits}. Rather, all qudits are to be addressed collectively in parallel. The QCA model is also shown to be an appropriate abstraction for space-homogeneous quantum phenomena, such as quantum lattice gases, spin chains and others. Some results that show the benefits of basing the model on local unitary operators are shown: computational universality, strong connections to the circuit model, simple implementation on quantum hardware, and a series of applications. A detailed discussion will be given on one particular application of QCA that lies outside either computation or simulation: single-spin measurement. This algorithm uses the techniques developed in this thesis to achieve a result normally considered hard in physics. It serves well as an example of why QCA are interesting in their own right.

Building a quantum computer is a formidable challenge. In this thesis, we focus on two projects, which tackle very different aspects of quantum computation, and yet still share a common goal in hopefully getting us closer to implementing a quantum computer on a large scale. The first project involves a numerical error threshold calculation of a quantum error correcting code called a surface code. These are local check codes, which means that only nearest neighbour interaction is required to determine where errors occurred. This is an important advantage over other approaches, as in many physical systems, doing operations on arbitrarily spaced qubits is often very difficult. An error threshold is a measure of how well a given error correcting scheme performs. It gives the experimentalists an idea of which approaches to error correction hold greater promise. We simulate both toric and planar variations of a surface code, and numerically calculate a threshold value of approximately $6.0 \times 10^{-3}$, which is comparable to similar calculations done by others \cite{Raussendorf2006,Raussendorf2007,Wang2009}. The second project deals with coupling superconducting flux qubits together. It expands the scheme presented in \cite{Plourde2004} to a three qubit, two coupler scenario. We study L-shaped and line-shaped coupler geometries, and show how the coupling strength changes in terms of the dimensions of the couplers. We explore two cases, the first where the interaction energy between two nearest neighbour qubits is high, while the coupling to the third qubit is as negligible as possible, as well as a case where all the coupling energies are as small as possible. Although only an initial step, a similar scheme can in principle be extended further to implement a lattice required for computation on a surface code.

The goal of this work is to understand the application of the evolutionary programming approach to the problem of quantum circuit design. This problem is motivated by the following observations: <ul> <li>In order to keep up with the seemingly insatiable demand for computing power our computing devices will continue to shrink, all the way down to the atomic scale, at which point they become quantum mechanical systems. In fact, this event, known as Moore?s Horizon, is likely to occur in less than 25 years. </li> <li> The recent discovery of several quantum algorithms which can solve some interesting problems more efficiently than any known classical algorithm. </li> <li> While we are not yet certain that quantum computers will ever be practical to build, there do now exist the first few astonishing experimental devices capable of briefly manipulating small quantities of quantum information. The programming of these devices is already a nontrivial problem, and as these devices and their algorithms become more complicated this problem will quickly become a significant challenge. </li> </ul> The Evolutionary Programming (EP) approach to problem solving seeks to mimic the processes of evolutionary biology which have resulted in the awesome complexity of living systems, almost all of which are well beyond our current analysis and engineering capabilities. This approach is motivated by the highly successful application of Koza?s Genetic Programming (GP) approach to a variety of circuit design problems, and specifically the preliminary reports byWilliams and Gray and also Rubinstein who applied GP to quantum circuit design. Accompanying this work is software for evolutionary quantum circuit design which incorporates several advances over previous approaches, including: <ul> <li>A formal language for describing parallel quantum circuits out of an arbitary elementary gate set, including gates with one or more parameters. </li> <li> A fitness assessment procedure that measures both average case fidelity with a respect for global phase equivalences, and implementation cost. </li> <li> A Memetic Programming (MP) based reproductive strategy that uses a combination of global genetic and local memetic searches to effectively search through diverse circuit topologies and optimize the parameterized gates they contain. </li> </ul> Several benchmark experiments are performed on small problems which support the conclusion that Evolutionary Programming is a viable approach to quantum circuit design and that further experiments utilizing more computational resources and more problem insight can be expected to yield many new and interesting quantum circuits.

This thesis presents a model of Quantum Cellular Automata (QCA). The presented formalism is a natural quantization of the classical Cellular Automata (CA). It is based on a lattice of qudits, and an update rule consisting of local unitary operators that commute with their own lattice translations. One purpose of this model is to act as a theoretical model of quantum computation, similar to the quantum circuit model. The main advantage that QCA have over quantum circuits is that QCA make considerably fewer demands on the underlying hardware. In particular, as opposed to direct implementations of quantum circuits, the global evolution of the lattice in the QCA model does not assume independent control over individual \emph{qudits}. Rather, all qudits are to be addressed collectively in parallel. The QCA model is also shown to be an appropriate abstraction for space-homogeneous quantum phenomena, such as quantum lattice gases, spin chains and others. Some results that show the benefits of basing the model on local unitary operators are shown: computational universality, strong connections to the circuit model, simple implementation on quantum hardware, and a series of applications. A detailed discussion will be given on one particular application of QCA that lies outside either computation or simulation: single-spin measurement. This algorithm uses the techniques developed in this thesis to achieve a result normally considered hard in physics. It serves well as an example of why QCA are interesting in their own right.

Building a quantum computer is a formidable challenge. In this thesis, we focus on two projects, which tackle very different aspects of quantum computation, and yet still share a common goal in hopefully getting us closer to implementing a quantum computer on a large scale. The first project involves a numerical error threshold calculation of a quantum error correcting code called a surface code. These are local check codes, which means that only nearest neighbour interaction is required to determine where errors occurred. This is an important advantage over other approaches, as in many physical systems, doing operations on arbitrarily spaced qubits is often very difficult. An error threshold is a measure of how well a given error correcting scheme performs. It gives the experimentalists an idea of which approaches to error correction hold greater promise. We simulate both toric and planar variations of a surface code, and numerically calculate a threshold value of approximately $6.0 \times 10^{-3}$, which is comparable to similar calculations done by others \cite{Raussendorf2006,Raussendorf2007,Wang2009}. The second project deals with coupling superconducting flux qubits together. It expands the scheme presented in \cite{Plourde2004} to a three qubit, two coupler scenario. We study L-shaped and line-shaped coupler geometries, and show how the coupling strength changes in terms of the dimensions of the couplers. We explore two cases, the first where the interaction energy between two nearest neighbour qubits is high, while the coupling to the third qubit is as negligible as possible, as well as a case where all the coupling energies are as small as possible. Although only an initial step, a similar scheme can in principle be extended further to implement a lattice required for computation on a surface code.

ESR quantum computing presents faster means to perform gates on nuclear spins than the traditional NMR methods. This means ESR is a test-bed that can potentially be useful in ways that are not possible with NMR. The first step is to demonstrate universal control in the ESR system. This work focuses on spin systems with one electron spin and two nuclear spins. We try to demonstrate control over the nuclear spins using the electron as an actuator. In order to perform the experiments, a customized ESR spectrometer was built in the lab. The main advantage of the home-built system is the ability to send arbitrary pulses to the spins. This ability is the key to perform high fidelity controls on the spin system. A customized low temperature probe was designed and built to have three features necessary for the experiments. First, it is possible to orient the sample, thus to change the spin Hamiltonian of the system, in situ. Second, the combined system is able to perform ESR experiments at liquid nitrogen and liquid helium temperatures and rotate the sample while it is cold. Last, the pulse bandwidth of the microwave resonator, which directly affects the fidelity of the gates, is held constant with respect to the sample temperature. Simulations of the experiments have been carried out and the results are promising. Preliminary experiments have been performed, the final set of experiments, demonstrating full quantum control of a three-spin system, are underway at present.

In this work, we mostly concentrate on the hidden shift problem for non-injective functions. It is worthwhile to know that the query complexity of the non-injective hidden shift problem is exponential in the worst case by the well known bounds on the unstructured search problem. Hence, we can make this problem more tractable by imposing additional constraints on the problem. Perhaps the first constraint that comes to mind is to address the average case problem. In this work, we show that the average case non-injective hidden shift problem can be reduced to the injective hidden shift problem by giving one such reduction. The reduction is based on a tool we developed called injectivization. The result is strong in the sense that the underlying group can be any finite group and that the non-injective functions for which we have defined the hidden shift problem can have range in an arbitrary finite set. Using this tool, we simplify the main result of a recent paper by about the hidden shift problem for Boolean-valued functions by reducing that problem to Simon's problem. They also posed an open question which is subject to personal interpretation. We answer the seemingly most general interpretation of the question. However, we use our own techniques in doing so (the authors ask if their techniques can be used for addressing that problem). Another constraint that one can consider is to have a promise on the structure of the functions. In this work we consider the hidden shift problem for c-almost generalized bent functions. A class of functions which we defined that includes the generalized bent functions. Then we turn our attention toward the generalized hidden shift problem which is easier than injective hidden shift problem and hence more tractable. We state some of our observations about this problem. Finally we show that the average classical query complexity of the non-injective hidden shift problem over groups of form (Z/mZ)^n when m is a constant is exponential, which also immediately implies that the classical average query complexity of the non-injective hidden shift problem is exponential. We also show that the worst-case classical query complexity of the generalized injective hidden shift problem over the same group is high, which implies that the classical query complexity of the hidden shift problem is high.