Abstract Quantum Hamiltonian Computing is a recent approach that uses quantum systems, in particular a single molecule, to perform computational tasks. Within this approach, we present explicit methods to construct logic gates using two different designs, where the logical outputs are encoded either at fixed energy and spatial positioning of the quantum states, or at different energies. We use these results to construct quantum Boolean adders involving a minimal number of quantum states with the two designs. We also establish a matrix algebra giving an analogy between classical Boolean logic gates and quantum ones, and assess the possibilities of both designs for more complex gates.
Abstract Quantum Hamiltonian Computing is a recent approach that uses quantum systems, in particular a single molecule, to perform computational tasks. Within this approach, we present explicit methods to construct logic gates using two different designs, where the logical outputs are encoded either at fixed energy and spatial positioning of the quantum states, or at different energies. We use these results to construct quantum Boolean adders involving a minimal number of quantum states with the two designs. We also establish a matrix algebra giving an analogy between classical Boolean logic gates and quantum ones, and assess the possibilities of both designs for more complex gates.
The mathematics behind the quantum Hamiltonian computing (QHC) approach of designing Boolean logic gates with a quantum system are given. Using the quantum eigenvalue repulsion effect, the QHC AND, NAND, OR, NOR, XOR, and NXOR Hamiltonian Boolean matrices are constructed. This is applied to the construction of a QHC half adder Hamiltonian matrix requiring only six quantum states to fullfil a half Boolean logical truth table. The QHC design rules open a nano-architectronic way of constructing Boolean logic gates inside a single molecule or atom by atom at the surface of a passivated semi-conductor.
Abstract Quantum Boolean (1 + 1) digits 1/2-adders are designed with 3 qubits for the quantum computing (Qubits) and 4 quantum states for the quantum Hamiltonian computing (QHC) approaches. Detailed analytical solutions are provided to analyse the time operation of those different 1/2-adder gates. QHC is more robust to noise than Qubits and requires about the same amount of energy for running its 1/2-adder logical operations. QHC is faster in time than Qubits but its logical output measurement takes longer.
Determining properties of molecules and materials is one of the premier applications of quantum computing. A major question in the thesis is: how might we use long- and near-term quantum computers to solve problems of chemical interest? First, we give an overview of the standard model in electronic structure theory. Electronic structure methods have been improved significantly in the last decades; however, it is still a non-trivial task to fit experimental results for complex molecular systems. Second, we introduce quantum computation and quantum algorithms as an alternative device to solve the electronic structure problem. In the remaining part of the thesis, we describe the research projects. The thesis covers two (rather different) research directions: software and hardware projects. For the software part, we contribute with two new algorithms: Phase-Estimation Interval Target Energy Readout (PHILTER) and Recursive Variational Series Estimation (RVSE), where both are designed to be run on a quantum digital computer and extract materials and molecular properties. The PHILTER algorithm is a modification of the Quantum Phase Estimation and is designed to compute excited state energies within a target energy-interval for cases where good approximations for the states in the target energy-interval are either unknown or hard to prepare. For the RVSE algorithm, we pose the question: how might we use imperfect near-term quantum computers to solve problems of practical value? In this work, we introduce a method to compute expectation values of general functions of a Hamiltonian with respect to an input state using low depth quantum circuits suitable for noisy intermediate-scale quantum computers. For the hardware part, we propose a new chemical quantum computer by using molecular electronics as a basis for quantum computing. In this work, we pose the question: can scattering of electrons in molecules produce quantum gates? We construct one-qubit gates using one-electron scattering in molecules, and two-qubit controlled-phase gates using electron-electron scattering along metallic leads. We show initial applications of the framework by illustrating one-qubit gates using the molecular electronic structure of molecular hydrogen as a baseline model.
An analytical method is proposed to implement any classical Boolean function in a small quantum system by taking the advantage of its electronic transport properties. The logical input, α = {α1, ..., αN}, is used to control well-identified parameters of the Hamiltonian of the system noted . The logical output is encoded in the tunneling current intensity passing through the quantum system when connected to conducting electrodes. It is demonstrated how to implement the six symmetric two-input/one-output Boolean functions in a quantum system. This system can be switched from one logic function to another by changing its structural parameters. The stability of the logic gates is discussed, perturbing the Hamiltonian with noise sources and studying the effect of decoherence.
Quantum computing is an emerging technology that has the potential to change the perspectives and applications of computing in general. A wide range of applications are enabled: from faster algorithmic solutions of classically still difficult problems to theoretically more secure communication protocols. A quantum computer uses the quantum mechanical effects of particles or particle-like systems, and a major similarity between quantum and classical computers consists of both being abstracted as information processing machines. Whereas a classical computer operates on classical digital information, the quantum computer processes quantum information, which shares similarities with analog signals. One of the central differences between the two types of information is that classical information is more fault-tolerant when compared to its quantum counterpart. Faults are the result of the quantum systems being interfered by external noise, but during the last decades quantum error correction codes (QECC) were proposed as methods to reduce the effect of noise. Reliable quantum circuits are the result of designing circuits that operate directly on encoded quantum information, but the circuit’s reliability is also increased by supplemental redundancies, such as sub-circuit repetitions. Reliable quantum circuits have not been widely used, and one of the major obstacles is their vast associated resource overhead, but recent quantum computing architectures show promising scalabilities. Consequently the number of particles used for computing can be more easily increased, and that the classical control hardware (inherent for quantum computation) is also more reliable. Reliable quantum circuits haev been investigated for almost as long as general quantum computing, but their limited adoption (until recently) has not generated enough interest into their systematic design. The continuously increasing practical relevance of reliability motivates the present thesis to investigate some of the first answers to questions related to the background and the methods forming a reliable quantum circuit design stack. The specifics of quantum circuits are analysed from two perspectives: their probabilistic behaviour and their topological properties when a particular class of QECCs are used. The quantum phenomena, such as entanglement and superposition, are the computational resources used for designing quantum circuits. The discrete nature of classical information is missing for quantum information. An arbitrary quantum system can be in an infinite number of states, which are linear combinations of an exponential number of basis states. Any nontrivial linear combination of more than one basis states is called a state superposition. The effect of superpositions becomes evident when the state of the system is inferred (measured), as measurements are probabilistic with respect to their output: a nontrivial state superposition will collapse to one of the component basis states, and the measurement result is known exactly only after the measurement. A quantum system is, in general, composed from identical subsystems, meaning that a quantum computer (the complete system) operates on multiple similar particles (subsystems). Entanglement expresses the impossibility of separating the state of the subsystems from the state of the complete system: the nontrivial interactions between the subsystems result into a single indivisible state. Entanglement is an additional source of probabilistic behaviour: by measuring the state of a subsystem, the states of the unmeasured subsystems will probabilistically collapse to states from a well defined set of possible states. Superposition and entanglement are the building blocks of quantum information teleportation protocols, which in turn are used in state-of-the-art fault-tolerant quantum computing architectures. Information teleportation implies that the state of a subsystem is moved to a second subsystem without copying any information during the process. The probabilistic approach towards the design of quantum circuits is initiated by the extension of classical test and diagnosis methods. Quantum circuits are modelled similarly to classical circuits by defining gate-lists, and missing quantum gates are modelled by the single missing gate fault. The probabilistic approaches towards quantum circuits are facilitated by comparing these to stochastic circuits, which are a particular type of classical digital circuits. Stochastic circuits can be considered an emulation of analogue computing using digital components. A first proposed design method, based on the direct comparison, is the simulation of quantum circuits using stochastic circuits by mapping each quantum gate to a stochastic computing sub-circuit. The resulting stochastic circuit is compiled and simulated on FPGAs. The obtained results are encouraging and illustrate the capabilities of the proposed simulation technique. However, the exponential number of possible quantum basis states was translated into an exponential number of stochastic computing elements. A second contribution of the thesis is the proposal of test and diagnosis methods for both stochastic and quantum circuits. Existing verification (tomographic) methods of quantum circuits were targeting the reconstruction of the gate-lists. The repeated execution of the quantum circuit was followed by different but specific measurement at the circuit outputs. The similarities between stochastic and quantum circuits motivated the proposal of test and diagnosis methods that use a restricted set of measurement types, which minimise the number of circuit executions. The obtained simulation results show that the proposed validation methods improve the feasibility of quantum circuit tomography for small and medium size circuits. A third contribution of the thesis is the algorithmic formalisation of a problem encountered in teleportation-based quantum computing architectures. The teleportation results are probabilistic and require corrections represented as quantum gates from a particular set. However, there are known commutation properties of these gates with the gates used in the circuit. The corrections are not applied as dynamic gate insertions (during the circuit’s execution) into the gate-lists, but their effect is tracked through the circuit, and the corrections are applied only at circuit outputs. The simulation results show that the algorithmic solution is applicable for very large quantum circuits. Topological quantum computing (TQC) is based on a class of fault-tolerant quantum circuits that use the surface code as the underlying QECC. Quantum information is encoded in lattice-like structures and error protection is enabled by the topological properties of the lattice. The 3D structure of the lattice allows TQC computations to be visualised similarly to knot diagrams. Logical information is abstracted as strands and strand interactions (braids) represent logical quantum gates. Therefore, TQC circuits are abstracted using a geometrical description, which allows circuit input-output transformations (correlations) to be represented as geometric sub-structures. TQC design methods were not investigated prior to this work, and the thesis introduces the topological computational model by first analysing the necessary concepts. The proposed TQC design stack follows a top-down approach: an arbitrary quantum circuit is decomposed into the TQC supported gate set; the resulting circuit is mapped to a lattice of appropriate dimensions; relevant resulting topological properties are extracted and expressed using graphs and Boolean formulas. Both circuit representations are novel and applicable to TQC circuit synthesis and validation. Moreover, the Boolean formalism is broadened into a formal mechanism for proving circuit correctness. The thesis introduces TQC circuit synthesis, which is based on a novel logical gate geometric description, whose formal correctness is demonstrated. Two synthesis methods are designed, and both use a general planar representation of the circuit. Initial simulation results demonstrate the practicality and performance of the methods. An additional group of proposed design methods solves the problem of automatic correlation construction. The methods use validity criteria which were introduced and analysed beforehand in the thesis. Input-output correlations existing in the circuit are inferred using both the graph and the Boolean representation. The thesis extends the TQC state-of-the-art by recognising the importance of correlations in the validation process: correlation construction is used as a sub-routine for TQC circuit validation. The presented cross-layer validation procedure is useful when investigating both the QECC and the circuit, while a second proposed method is QECC-independent. Both methods are scalable and applicable even to very large circuits. The thesis completes with the analysis of TQC circuit identities, where the developed Boolean formalism is used. The proofs of former known circuit identities were either missing or complex, and the presented approach reduces the length of the proofs and represents a first step towards standardising them. A new identity is developed and detailed during the process of illustrating the known circuit identities. Reliable quantum circuits are a necessity for quantum computing to become reality, and specialised design methods are required to support the quest for scalable quantum computers. This thesis used a twofold approach towards this target: firstly by focusing on the probabilistic behaviour of quantum circuits, and secondly by considering the requirements of a promising quantum computing architecture, namely TQC. Both approaches resulted in a set of design methods enabling the investigation of reliable quantum circuits. The thesis contributes with the proposal of a new quantum simulation technique, no
The pressure of fundamental limits on classical computation and the promise of exponential speedups from quantum effects have recently brought quantum circuits (Proc. R. Soc. Lond. A, Math. Phys. Sci., vol. 425, p. 73, 1989) to the attention of the electronic design automation community (Proc. 40th ACM/IEEE Design Automation Conf., 2003), (Phys. Rev. A, At. Mol. Opt. Phy., vol. 68, p. 012318, 2003), (Proc. 41st Design Automation Conf., 2004), (Proc. 39th Design Automation Conf., 2002), (Proc. Design, Automation, and Test Eur., 2004), (Phys. Rev. A, At. Mol. Opt. Phy., vol. 69, p. 062321, 2004), (IEEE Trans. Comput.-Aided Des. Integr. Circuits Syst., vol. 22, p. 710, 2003). Efficient quantum-logic circuits that perform two tasks are discussed: 1) implementing generic quantum computations, and 2) initializing quantum registers. In contrast to conventional computing, the latter task is nontrivial because the state space of an n-qubit register is not finite and contains exponential superpositions of classical bitstrings. The proposed circuits are asymptotically optimal for respective tasks and improve earlier published results by at least a factor of 2. The circuits for generic quantum computation constructed by the algorithms are the most efficient known today in terms of the number of most expensive gates [quantum controlled-NOTs (CNOTs)]. They are based on an analog of the Shannon decomposition of Boolean functions and a new circuit block, called quantum multiplexor (QMUX), which generalizes several known constructions. A theoretical lower bound implies that the circuits cannot be improved by more than a factor of 2. It is additionally shown how to accommodate the severe architectural limitation of using only nearest neighbor gates, which is representative of current implementation technologies. This increases the number of gates by almost an order of magnitude, but preserves the asymptotic optimality of gate counts.