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Quantum computing promises to provide the next step up in computational power for diverse application areas. In this review, we examine the science behind the quantum hype, and the breakthroughs required to achieve true quantum advantage in real world applications. Areas that are likely to have the greatest impact on high performance computing (HPC) include simulation of quantum systems, optimization, and machine learning. We draw our examples from electronic structure calculations and computational fluid dynamics which account for a large fraction of current scientific and engineering use of HPC. Potential challenges include encoding and decoding classical data for quantum devices, and mismatched clock speeds between classical and quantum processors. Even a modest quantum enhancement to current classical techniques would have far-reaching impacts in areas such as weather forecasting, aerospace engineering, and the design of "green" materials for sustainable development. This requires significant effort from the computational science, engineering and quantum computing communities working together., Comment: Accepted by Reports on Progress in Physics. 43 pages + 29 pages references

We introduce a variation of the discrete time quantum walk, the nonreversal quantum walk, which does not step back onto a position which it has just occupied. This allows us to simulate a dimer and we achieve it by introducing a new type of coin operator. The nonrepeating walk, which never moves in the same direction in consecutive time steps, arises by a permutation of this coin operator. We describe the basic properties of both walks and prove that the even-order joint moments of the nonrepeating walker are independent of the initial condition, being determined by five parameters derived from the coin instead. Numerical evidence suggests that the same is the case for the nonreversal walk. This contrasts strongly with previously studied coins, such as the Grover operator, where the initial condition can be used to control the standard deviation of the walker., Comment: v4: 8 pages 4 figures. Published version

We systematically investigated perfect state transfer between antipodal nodes of discrete time quantum walks on variants of the cycles C_4, C_6 and C_8 for three choices of coin operator. Perfect state transfer was found, in general, to be very rare, only being preserved for a very small number of ways of modifying the cycles. We observed that some of our useful modifications of C_4 could be generalised to an arbitrary number of nodes, and present three families of graphs which admit quantum walks with interesting dynamics either in the continuous time walk, or in the discrete time walk for appropriate selections of coin and initial conditions. These dynamics are either periodicity, perfect state transfer, or very high fidelity state transfer. These families are modifications of families known not to exhibit periodicity or perfect state transfer in general. The robustness of the dynamics is tested by varying the initial state, interpolating between structures and by adding decoherence., Comment: v3, 27 pages. Substantial revisions with new material added. References fixed

We propose an experimental realization of discrete quantum random walks using neutral atoms trapped in optical lattices. The random walk is taking place in position space and experimental implementation with present day technology --even using existing set-ups-- seems feasible. We analyze the influence of possible imperfections in the experiment and investigate the transition from a quantum random walk to the classical random walk for increasing errors and decoherence., Comment: 8 pages, 4 figures

We investigate the entanglement arising naturally in a 1D Ising chain in a magnetic field in an arbitrary direction. We find that for different temperatures, different orientations of the magnetic field give maximum entanglement. In the high temperature limit, this optimal orientation corresponds to the magnetic field being perpendicular to the Ising orientation (z direction). In the low temperature limit, we find that varying the angle of the magnetic field very slightly from the z direction leads to a rapid rise in entanglement. We also find that the orientation of the magnetic field for maximum entanglement varies with the field amplitude. Furthermore, we have derived a simple rule for the mixing of concurrences (a measure of entanglement) due to mixing of pure states satisfying certain conditions., Comment: 8 pages latex, 8 eps figs included. For colour versions of figs see http://www.lsr.ph.ic.ac.uk/~dang Typos corrected

The late-stage demixing following spinodal decomposition of a three-dimensional symmetric binary fluid mixture is studied numerically, using a thermodynamicaly consistent lattice Boltzmann method. We combine results from simulations with different numerical parameters to obtain an unprecendented range of length and time scales when expressed in reduced physical units. Using eight large (256^3) runs, the resulting composite graph of reduced domain size l against reduced time t covers 1 < l < 10^5, 10 < t < 10^8. Our data is consistent with the dynamical scaling hypothesis, that l(t) is a universal scaling curve. We give the first detailed statistical analysis of fluid motion, rather than just domain evolution, in simulations of this kind, and introduce scaling plots for several quantities derived from the fluid velocity and velocity gradient fields., Comment: 49 pages, latex, J. Fluid Mech. style, 48 embedded eps figs plus 6 colour jpegs for Fig 10 on p.29

The persistence exponent, theta, is defined by N_F sim t^theta, where t is the time since the start of the coarsening process and the "no-flip fraction", N_F, is the number of points that have not seen a change of "color" since t=0. Here we investigate numerically the persistence exponent for a binary fluid system where the coarsening is dominated by hydrodynamic transport. We find that N_F follows a power law decay (as opposed to exponential) with the value of theta somewhat dependent on the domain growth rate (L sim t^alpha, where L is the average domain size), in the range theta=1.23 +-0.1 (alpha = 2/3) to theta=1.37 +-0.2 (alpha=1). These alpha values correspond to the inertial and viscous hydrodynamic regimes respectively., Comment: 9 pages RevTex, 9 figures included as eps files on last 3 pages, submitted to Phys Rev E

A new scaling theory for spinodal decomposition in the inertial hydrodynamic regime is presented. The scaling involves three relevant length scales, the domain size, the Taylor microscale and the Kolmogorov dissipation scale. This allows for the presence of an inertial "energy cascade", familiar from theories of turbulence, and improves on earlier scaling treatments based on a single length: these, it is shown, cannot be reconciled with energy conservation. The new theory reconciles the t^{2/3} scaling of the domain size, predicted by simple scaling, with the physical expectation of a saturating Reynolds number at late times., Comment: 5 pages, no figures, revised version submitted to Phys Rev E Rapp Comm. Minor changes and clarifications

Symmetric binary fluids, quenched into a regime of immiscibility, undergo phase separation by spinodal decomposition. In the late stages, the fluids are separated by sharply defined, but curved, interfaces: the resulting Laplace pressure drives fluid flow. Scaling ideas (of Siggia and of Furukawa) predict that, ultimately, this flow should become turbulent as inertial effects dominate over viscous ones. The physics here is complex: mesoscale simulation methods (such as Lattice Boltzmann and Dissipative Particle Dynamics) can play an essential role in its elucidation, as we describe. Likewise, it is a matter of experience that immiscible fluids will mix, on some lengthscale at least, if stirred vigorously enough. A scaling theory (of Doi and Ohta) predicts the dependence of a steady state domain size on shear rate, but assumes low Reynolds number (inertia is neglected). Our preliminary simulation results (three-dimensional, so far only on small systems) show little sign of the kind of steady state envisaged by Doi and Ohta; they raise instead the possibility of an oriented domain texture which can continue to coarsen until either inertial effects, or (in our simulations) finite size effects, come into play., Comment: RevTex, 10 pages, 7 Figures (1 colour). To appear in: Faraday Disc. Roy. Chem. Soc

We simulate late-stage coarsening of a 3D symmetric binary fluid using a lattice Boltzmann method. With reduced lengths and times l and t respectively (scales set by viscosity, density and surface tension) our data sets cover 1 < l < 10^5, 10 < t < 10^8. We achieve Reynolds numbers approaching 350. At Re > 100 we find clear evidence of Furukawa's inertial scaling (l ~ t^{2/3}), although the crossover from the viscous regime (l ~ t) is very broad. Though it cannot be ruled out, we find no indication that Re is self-limiting (l ~ t^{1/2}) as proposed by M. Grant and K. R. Elder [Phys. Rev. Lett. 82, 14 (1999)]., Comment: 4 pages, 3 eps figures, RevTex, minor changes to bring in line with published version. Mobility values added to Table I