Abstract:
The differences in energy between electronic bands due to valley splitting are of paramount importance in interpreting transport spectroscopy experiments on state-of-the-art quantum devices defined by scanning tunnelling microscope lithography. Using VASP, we develop a plane-wave density functional theory description of systems which is size limited due to computational tractability. Nonetheless, we provide valuable data for the benchmarking of empirical modelling techniques more capable of extending this discussion to confined disordered systems or actual devices. We then develop a less resource-intensive alternative via localised basis functions in SIESTA, retaining the physics of the plane-wave description, and extend this model beyond the capability of plane-wave methods to determine the ab initio valley splitting of well-isolated delta-layers. In obtaining an agreement between plane-wave and localised methods, we show that valley splitting has been overestimated in previous ab initio calculations by more than 50%.

Abstract:
The differences in energy between electronic bands due to valley splitting are of paramount importance in interpreting transport spectroscopy experiments on state-of-the-art quantum devices defined by scanning tunneling microscope lithography. We develop a plane-wave density functional theory description of these systems which is size-limited due to computational tractability. We then develop a less resource-intensive alternative via localized basis functions, retaining the physics of the plane-wave description, and extend this model beyond the capability of plane-wave methods to determine the ab initio valley splitting of well-isolated \delta-layers. In obtaining agreement between plane-wave and delocalized methods, we show that the valley splitting has been overestimated in previous ab initio calculations by more than 50%.

Abstract:
A quantum version of the Minority game for an arbitrary number of agents is considered. It is known that when the number of agents is odd, quantizing the game produces no advantage to the players, but for an even number of agents new Nash equilibria appear that have no classical analogue and have improved payoffs. We study the effect on the Nash equilibrium payoff of various forms of decoherence. As the number of players increases the multipartite GHZ state becomes increasingly fragile, as indicated by the smaller error probability required to reduce the Nash equilibrium payoff to the classical level.

Abstract:
In the Eisert protocol for 2 X 2 quantum games [Phys. Rev. Lett. 83, 3077], a number of authors have investigated the features arising from making the strategic space a two-parameter subset of single qubit unitary operators. We argue that the new Nash equilibria and the classical-quantum transitions that occur are simply an artifact of the particular strategy space chosen. By choosing a different, but equally plausible, two-parameter strategic space we show that different Nash equilibria with different classical-quantum transitions can arise. We generalize the two-parameter strategies and also consider these strategies in a multiplayer setting.

Abstract:
Optically active defect centers in diamond are of considerable interest, and ab initio calculations have provided valuable insight into the physics of these systems. Candidate structures for the Xe center in diamond, for which little structural information is known, are modeled using density functional theory. The relative thermodynamic stabilities were calculated for two likely structural arrangements. The split-vacancy structure is found to be the most stable for all temperatures up to 1500 K. A vibrational analysis was also carried out, predicting Raman- and IR-active modes which may aid in distinguishing between center structures.

Abstract:
Game theory is central to the understanding of competitive interactions arising in many fields, from the social and physical sciences to economics. Recently, as the definition of information is generalized to include entangled quantum systems, quantum game theory has emerged as a framework for understanding the competitive flow of quantum information. Up till now only two-player quantum games have been demonstrated. Here we report the first experiment that implements a four-player quantum Minority game over tunable four-partite entangled states encoded in the polarization of single photons. Experimental application of appropriate quantum player strategies give equilibrium payoff values well above those achievable in the classical game. These results are in excellent quantitative agreement with our theoretical analysis of the symmetric Pareto optimal strategies. Our result demonstrate for the first time how non-trivial equilibria can arise in a competitive situation involving quantum agents and pave the way for a range of quantum transaction applications.

Abstract:
We show that, for a continuous set of entangled four-partite states, the task of maximizing the payoff in the symmetric-strategy four-player quantum Minority game is equivalent to maximizing the violation of a four-particle Bell inequality with each observer choosing the same set of two dichotomic observables. We conclude the existence of direct correspondences between (i) the payoff rule and Bell inequalities, and (ii) the strategy and the choice of measured observables in evaluating these Bell inequalities. We also show that such a correspondence between Bell polynomials (in a single plane) and four-player, symmetric, binary-choice quantum games is unique to the four-player quantum Minority game and its "anti-Minority" version. This indicates that the four-player Minority game not only plays a special role among quantum games but also in studies of Bell-type quantum nonlocality.

Abstract:
Quantum search algorithms are considered in the context of protein sequence comparison in biocomputing. Given a sample protein sequence of length m (i.e m residues), the problem considered is to find an optimal match in a large database containing N residues. Initially, Grover's quantum search algorithm is applied to a simple illustrative case - namely where the database forms a complete set of states over the 2^m basis states of a m qubit register, and thus is known to contain the exact sequence of interest. This example demonstrates explicitly the typical O(sqrt{N}) speedup on the classical O(N) requirements. An algorithm is then presented for the (more realistic) case where the database may contain repeat sequences, and may not necessarily contain an exact match to the sample sequence. In terms of minimizing the Hamming distance between the sample sequence and the database subsequences the algorithm finds an optimal alignment, in O(sqrt{N}) steps, by employing an extension of Grover's algorithm, due to Boyer, Brassard, Hoyer and Tapp for the case when the number of matches is not a priori known.

Abstract:
To take existing quantum optical experiments and devices into more practical regimes requires the construction of robust, solid-state implementations. In particular, to observe the strong-coupling regime of atom-photon interactions requires very small cavities and large quality factors. Here we show that the slot-waveguide geometry recently introduced for photonic applications is also promising for quantum optical applications in the visible regime. We study diamond- and GaP-based slot-waveguide cavities (SWCs) compatible with diamond colour centres e.g. nitrogen-vacancy (NV) defect, and show that one can achieve increased single-photon Rabi frequencies of order O(10^11) Hz in ultra-small cavity modal volumes, nearly 2 orders of magnitude smaller than previously studied diamond-based photonic crystal cavities.

Abstract:
Adiabatic shuttling of single impurity bound electrons to gate induced surface states in semiconductors has attracted much attention in recent times, mostly in the context of solid-state quantum computer architecture. A recent transport spectroscopy experiment for the first time was able to probe the Stark shifted spectrum of a single donor in silicon buried close to a gate. Here we present the full theoretical model involving large-scale quantum mechanical simulations that was used to compute the Stark shifted donor states in order to interpret the experimental data. Use of atomistic tight-binding technique on a domain of over a million atoms helped not only to incorporate the full band structure of the host, but also to treat realistic device geometries and donor models, and to use a large enough basis set to capture any number of donor states. The method yields a quantitative description of the symmetry transition that the donor electron undergoes from a 3D Coulomb confined state to a 2D surface state as the electric field is ramped up adiabatically. In the intermediate field regime, the electron resides in a superposition between the states of the atomic donor potential and that of the quantum dot like states at the surface. In addition to determining the effect of field and donor depth on the electronic structure, the model also provides a basis to distinguish between a phosphorus and an arsenic donor based on their Stark signature. The method also captures valley-orbit splitting in both the donor well and the interface well, a quantity critical to silicon qubits. The work concludes with a detailed analysis of the effects of screening on the donor spectrum.