Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures

In this paper, we report a reimplementation of the core algorithms of relativistic coupled cluster theory aimed at modern heterogeneous high-performance computational infrastructures. The code is designed for efficient parallel execution on many compute nodes with optional GPU coprocessing, accomplished via the new ExaTENSOR back end. The resulting ExaCorr module is primarily intended for calculations of molecules with one or more heavy elements, as relativistic effects on electronic structure are included from the outset. In the current work, we thereby focus on exact 2-component methods and demonstrate the accuracy and performance of the software. The module can be used as a stand-alone program requiring a set of molecular orbital coefficients as starting point, but is also interfaced to the DIRAC program that can be used to generate these. We therefore also briefly discuss an improvement of the parallel computing aspects of the relativistic self-consistent field algorithm of the DIRAC program

Pseudo-Killing Spinors, Pseudo-supersymmetric p-branes, Bubbling and Less-bubbling AdS Spaces

We consider Einstein gravity coupled to an n-form field strength in D dimensions. Such a theory cannot be supersymmetrized in general, we nevertheless propose a pseudo-Killing spinor equation and show that the AdS X Sphere vacua have the maximum number of pseudo-Killing spinors, and hence are fully pseudo-supersymmetric. We show that extremal p-branes and their intersecting configurations preserve fractions of the pseudo-supersymmetry. We study the integrability condition for general (D,n) and obtain the additional constraints that are required so that the existence of the pseudo-Killing spinors implies the Einstein equations of motion. We obtain new pseudo-supersymmetric bubbling AdS_5 X S^5 spaces that are supported by a non-self-dual 5-form. This demonstrates that non-supersymmegtric conformal field theories may also have bubbling states of arbitrary droplets of free fermions in the phase space. We also obtain an example of less-bubbling AdS geometry in D=8, whose bubbling effects are severely restricted by the additional constraint arising from the integrability condition.Comment: typos corrected, extra comments and references added, version appeared in JHE

High-fidelity multimode fibre-based endoscopy for deep brain in vivo imaging

Progress in neuroscience constantly relies on the development of new techniques to investigate the complex dynamics of neuronal networks. An ongoing challenge is to achieve minimally-invasive and high-resolution observations of neuronal activity in vivo inside deep brain areas. A perspective strategy is to utilise holographic control of light propagation in complex media, which allows converting a hair-thin multimode optical fibre into an ultra-narrow imaging tool. Compared to current endoscopes based on GRIN lenses or fibre bundles, this concept offers a footprint reduction exceeding an order of magnitude, together with a significant enhancement in resolution. We designed a compact and high-speed system for fluorescent imaging at the tip of a fibre, achieving micron-scale resolution across a 50 um field of view, and yielding 7-kilopixel images at a rate of 3.5 frames/s. Furthermore, we demonstrate in vivo observations of cell bodies and processes of inhibitory neurons within deep layers of the visual cortex and hippocampus of anesthetised mice. This study forms the basis for several perspective techniques of modern microscopy to be delivered deep inside the tissue of living animal models while causing minimal impact on its structural and functional properties.Comment: 10 pages, 2 figures, Supplementary movie: https://drive.google.com/file/d/1Fm0G3TAIC49LVX6FaEiAtlefkWx1T2a5/vie

Drinking behaviour and alcohol-related harm amongst older adults: analysis of existing UK datasets.

Older adults experience age-related physiological changes that increase sensitivity and decrease tolerance to alcohol and there are a number of age-related harms such as falls, social isolation and elder abuse, which are compounded by alcohol misuse. Despite this unique vulnerability and the fact that the number of older adults is increasing, the literature on drinking behaviour and alcohol-related harm in older adults is sparse. This article describes a secondary analysis of UK data to address this knowledge gap

The first spectral line surveys searching for signals from the Dark Ages

Our aim is to observationally investigate the cosmic Dark Ages in order to constrain star and structure formation models, as well as the chemical evolution in the early Universe. Spectral lines from atoms and molecules in primordial perturbations at high redshifts can give information about the conditions in the early universe before and during the formation of the first stars in addition to the epoch of reionisation. The lines may arise from moving primordial perturbations before the formation of the first stars (resonant scattering lines), or could be thermal absorption or emission lines at lower redshifts. The difficulties in these searches are that the source redshift and evolutionary state, as well as molecular species and transition are unknown, which implies that an observed line can fall within a wide range of frequencies. The lines are also expected to be very weak. Observations from space have the advantages of stability and the lack of atmospheric features which is important in such observations. We have therefore, as a first step in our searches, used the Odin satellite to perform two sets of spectral line surveys towards several positions. The first survey covered the band 547-578 GHz towards two positions, and the second one covered the bands 542.0-547.5 GHz and 486.5-492.0 GHz towards six positions selected to test different sizes of the primordial clouds. Two deep searches centred at 543.250 and 543.100 GHz with 1 GHz bandwidth were also performed towards one position. The two lowest rotational transitions of H2 will be redshifted to these frequencies from z~20-30, which is the predicted epoch of the first star formation. No lines are detected at an rms level of 14-90 and 5-35 mK for the two surveys, respectively, and 2-7 mK in the deep searches with a channel spacing of 1-16 MHz. The broad bandwidth covered allows a wide range of redshifts to be explored for a number of atomic and molecular species and transitions. From the theoretical side, our sensitivity analysis show that the largest possible amplitudes of the resonant lines are about 1 mK at frequencies <200 GHz, and a few micro K around 500-600 GHz, assuming optically thick lines and no beam-dilution. However, if existing, thermal absorption lines have the potential to be orders of magnitude stronger than the resonant lines. We make a simple estimation of the sizes and masses of the primordial perturbations at their turn-around epochs, which previously has been identified as the most favourable epoch for a detection. This work may be considered as an important pilot study for our forthcoming observations with the Herschel Space Observatory.Comment: 15 pages, 9 figures, 3 on-line pages. Accepted for publication in Astronomy & Astrophysics 8 March 2010

Yang-Mills instantons and dyons on homogeneous G_2-manifolds

We consider Lie G-valued Yang-Mills fields on the space R x G/H, where G/H is a compact nearly K"ahler six-dimensional homogeneous space, and the manifold R x G/H carries a G_2-structure. After imposing a general G-invariance condition, Yang-Mills theory with torsion on R x G/H is reduced to Newtonian mechanics of a particle moving in R^6, R^4 or R^2 under the influence of an inverted double-well-type potential for the cases G/H = SU(3)/U(1)xU(1), Sp(2)/Sp(1)xU(1) or G_2/SU(3), respectively. We analyze all critical points and present analytical and numerical kink- and bounce-type solutions, which yield G-invariant instanton configurations on those cosets. Periodic solutions on S^1 x G/H and dyons on iR x G/H are also given.Comment: 1+26 pages, 14 figures, 6 miniplot

Supersymmetric Intersecting Branes on the Waves

We construct a general family of supersymmetric solutions in time- and space-dependent wave backgrounds in general supergravity theories describing single and intersecting p-branes embedded into time-dependent dilaton-gravity plane waves of an arbitrary (isotropic) profile, with the brane world-volume aligned parallel to the propagation direction of the wave. We discuss how many degrees of freedom we have in the solutions. We also propose that these solutions can be used to describe higher-dimensional time-dependent "black holes", and discuss their property briefly.Comment: 12 pages, LaTe

Nonlinear Supersymmetry as a Hidden Symmetry

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