Quantum computation offers the extraordinary promise of solving mathematical and physical problems which are simply beyond the reach of classical computers. However, the experimental realization of quantum computers is extremely challenging, because of the need to initialize, manipulate and measure the state of a set of coupled quantum systems while maintaining fragile quantum coherence. In this thesis work, we have taken significant steps towards the realization of a practical quantum computer: using nuclear spins and magnetic resonance techniques at room temperature, we provided proof of principle of quantum computing in a series of experiments which culminated in the implementation of the simplest instance of Shor’s quantum algorithm for prime factorization (15 = 3 × 5), using a seven-spin molecule. This algorithm achieves an exponential advantage over the best known classical factoring algorithms and its implementation represents a milestone in the experimental exploration of quantum computation. These remarkable successes have been made possible by the synthesis of suitable molecules and the development of many novel techniques for initialization, coherent control and readout of the state of multiple coupled nuclear spins. Furthermore, we devised and implemented a model to simulate both unitary and decoherence processes in these systems, in order to study and quantify the impact of various technological as well as fundamental sources of errors. In summary, this work has given us a much needed practical appreciation of what it takes to build a quantum computer. Furthermore, while liquid NMR quantum computing has well-understood scaling limitations, many of the techniques that originated from this research may find use in other, perhaps more scalable quantum computer implementations.
Nuclear Magnetic Resonance (NMR) forms a natural test-bed to perform quantum information processing (QIP) and has so far proven to be one of the most successful quantum information processors. The nuclear spins in a molecule treated as quantum bits or qubits which are the basic building blocks of a quantum computer. The development of NMR over half a century puts it in a platform where we can utilize its excellent control techniques over an ensemble of spin systems and perform quantum computation in a highly controlled way. Apart from a successful quantum information processor, NMR is also a highly powerful quantum platform where many of the potentially challenging quantum mechanical experiments can be performed.
Nuclear-magnetic-resonance (NMR) quantum computation is a fruitful arena in which to develop and demonstrate an enhanced capability for quantum control over molecular systems, regardless of the prospects, which may be limited, for building a quantum computer superior to a conventional computer for any computing task. We demonstrate a five-bit NMR quantum computer that distinguishes among various functions on four bits, making use of quantum parallelism, an example of the Deutsch-Jozsa problem. Its construction draws on the recognition of the sufficiency of linear coupling along a chain of nuclear spins, the synthesis of a suitably coupled molecule containing four distinct nuclear species, and the use of a multichannel spectrometer. Radio-frequency pulse sequences are described to execute controlled-NOT gates on two adjoining spins while leaving the other three spins essentially unaffected.
Standard CMOS circuits are expected to be no longer able to satisfy nowadays demand for higher performances and lower power consumption. This commits to look for new solutions. Quantum computation, whose fundamental quantity of information is the qubit, is a thoroughly new way of thinking to electronics. There are at least two main reasons for which quantum computing is expected to broaden computation horizons. First, specific algorithms can be engineered, manipulating the probability amplitudes of different states, to exploit the quantum superposition principle and achieve high parallelism. Second, it is expected to be spontaneously suitable to simulate complex quantum physical systems, as large molecules. Quantum computing requires the cooperation of several scientific fields. The leading idea has been to highlight the operations and algorithms a quantum computer must be able to perform and, then, to propose a hardware solution, providing the rigorous physical treatment mandatory for a deep understanding and for an appropriate modelling, something which is hard to find in nowadays literature. Thus, the first chapters address the quantum algorithms, focusing on Grover's search algorithm and deriving, from fundamentals, the corresponding circuit. The latter is then described in Quantum Assembly (QASM), which can be seen as the quantum equivalent of VHDL, and simulated on IBM Q Experience. The following chapters deal with a possible physical implementation of quantum processors: the encoding of qubits on nuclear spins in diamagnetic molecules. When a static magnetic field is applied to a spin-1/2 nucleus, two well-defined energy eigenstates arise, as a result of the Zeeman effect. Each of them can be associated with a qubit eigenstate. Thanks to nuclear magnetic resonance principles, the probability with which one of the two eigenstates is measured can be handled by the superposition of a radio frequency field at the resonance frequency of the nucleus. This can be interpreted as a rotation of the spin, and so of the qubit, about the RF field and enables the execution of single qubit quantum gates, since they are simple rotations of the state vector. The two-qubit CNOT gate is obtained through the interaction of spins via J-coupling. Considering that these gates constitute a universal set, every quantum algorithm can theoretically be run on an NMR processor. Different nuclei have different resonant frequencies, but the addressing of a specific spin can be achieved also in homonuclear molecules, since the resonant frequency depends also on the nuclear environment (nuclear shielding). While unwanted J-couplings can be removed thanks to refocusing, spin decoherence and relaxation phenomena force an upper limit to the allowed timescale. A main advantage of NMR is that this timescale is long, even at room temperature. Conversely, scalability is still an issue. A simple heteronuclear MATLAB model, based on the relations derived from first principles in the thesis, is proposed to prove the feasibility of NMR quantum processors. The input technological parameters, as chemical shielding and J-coupling, can be computed resorting on ORCA, or obtained from experimental data. The model, able to run a universal set of quantum gates and simple algorithms, can be useful to find an optimal operating point as a compromise between molecule physical properties and the quantities which can be controlled by nowadays NMR instrumentation.
Quantum computing shows great promise for the solution of many difficult problems, such as the simulation of quantum systems and the factorization of large numbers. While the theory of quantum computing is fairly well understood, it has proved difficult to implement quantum computers in real physical systems. It has recently been shown that nuclear magnetic resonance (NMR) can be used to implement small quantum computers using the spin states of nuclei in carefully chosen small molecules. Here we demonstrate the use of a NMR quantum computer based on the pyrimidine base cytosine, and the implementation of a quantum algorithm to solve Deutsch’s problem (distinguishing between constant and balanced functions). This is the first successful implementation of a quantum algorithm on any physical system.