Application of compressed sensing to the simulation of atomic systems

Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can also be used to speed up numerical simulations. We apply compressed sensing to extract information from the real-time simulation of atomic and molecular systems, including electronic and nuclear dynamics. We find that for the calculation of vibrational and optical spectra the total propagation time, and hence the computational cost, can be reduced by approximately a factor of five.Comment: 7 pages, 5 figure

How well-proportioned are lens and prism spaces?

The CMB anisotropies in spherical 3-spaces with a non-trivial topology are analysed with a focus on lens and prism shaped fundamental cells. The conjecture is tested that well proportioned spaces lead to a suppression of large-scale anisotropies according to the observed cosmic microwave background (CMB). The focus is put on lens spaces L(p,q) which are supposed to be oddly proportioned. However, there are inhomogeneous lens spaces whose shape of the Voronoi domain depends on the position of the observer within the manifold. Such manifolds possess no fixed measure of well-proportioned and allow a predestined test of the well-proportioned conjecture. Topologies having the same Voronoi domain are shown to possess distinct CMB statistics which thus provide a counter-example to the well-proportioned conjecture. The CMB properties are analysed in terms of cyclic subgroups Z_p, and new point of view for the superior behaviour of the Poincar\'e dodecahedron is found

CMB Anisotropy of Spherical Spaces

The first-year WMAP data taken at their face value hint that the Universe might be slightly positively curved and therefore necessarily finite, since all spherical (Clifford-Klein) space forms M^3 = S^3/Gamma, given by the quotient of S^3 by a group Gamma of covering transformations, possess this property. We examine the anisotropy of the cosmic microwave background (CMB) for all typical groups Gamma corresponding to homogeneous universes. The CMB angular power spectrum and the temperature correlation function are computed for the homogeneous spaces as a function of the total energy density parameter Omega_tot in the large range [1.01, 1.20] and are compared with the WMAP data. We find that out of the infinitely many homogeneous spaces only the three corresponding to the binary dihedral group T*, the binary octahedral group O*, and the binary icosahedral group I* are in agreement with the WMAP observations. Furthermore, if Omega_tot is restricted to the interval [1.00, 1.04], the space described by T* is excluded since it requires a value of Omega_tot which is probably too large being in the range [1.06, 1.07]. We thus conclude that there remain only the two homogeneous spherical spaces S^3/O* and S^3/I* with Omega_tot of about 1.038 and 1.018, respectively, as possible topologies for our Universe.Comment: A version with high resolution sky maps can be obtained at http://www.physik.uni-ulm.de/theo/qc

Cosmic Topology of Polyhedral Double-Action Manifolds

A special class of non-trivial topologies of the spherical space S^3 is investigated with respect to their cosmic microwave background (CMB) anisotropies. The observed correlations of the anisotropies on the CMB sky possess on large separation angles surprising low amplitudes which might be naturally be explained by models of the Universe having a multiconnected spatial space. We analysed in CQG 29(2012)215005 the CMB properties of prism double-action manifolds that are generated by a binary dihedral group D^*_p and a cyclic group Z_n up to a group order of 180. Here we extend the CMB analysis to polyhedral double-action manifolds which are generated by the three binary polyhedral groups (T^*, O^*, I^*) and a cyclic group Z_n up to a group order of 1000. There are 20 such polyhedral double-action manifolds. Some of them turn out to have even lower CMB correlations on large angles than the Poincare dodecahedron

CMB Anisotropy of the Poincare Dodecahedron

We analyse the anisotropy of the cosmic microwave background (CMB) for the Poincare dodecahedron which is an example for a multi-connected spherical universe. We compare the temperature correlation function and the angular power spectrum for the Poincare dodecahedral universe with the first-year WMAP data and find that this multi-connected universe can explain the surprisingly low CMB anisotropy on large scales found by WMAP provided that the total energy density parameter Omega_tot is in the range 1.016...1.020. The ensemble average over the primordial perturbations is assumed to be the scale-invariant Harrison-Zel'dovich spectrum. The circles-in-the-sky signature is studied and it is found that the signal of the six pairs of matched circles could be missed by current analyses of CMB sky maps

Nuclear Magnetic Resonance and Hyperfine Structure

Contains reports on four research projects

Determinants of methicillin-susceptible Staphylococcus aureus native bone and joint infection treatment failure: a retrospective cohort study.

BACKGROUND: Although methicillin-susceptible Staphylococcus aureus (MSSA) native bone and joint infection (BJI) constitutes the more frequent clinical entity of BJI, prognostic studies mostly focused on methicillin-resistant S. aureus prosthetic joint infection. We aimed to assess the determinants of native MSSA BJI outcomes. METHODS: Retrospective cohort study (2001-2011) of patients admitted in a reference hospital centre for native MSSA BJI. Treatment failure determinants were assessed using Kaplan-Meier curves and binary logistic regression. RESULTS: Sixty-six patients (42 males [63.6%]; median age 61.2 years; interquartile range [IQR] 45.9-71.9) presented an acute (n = 38; 57.6%) or chronic (n = 28; 42.4%) native MSSA arthritis (n = 15; 22.7%), osteomyelitis (n = 19; 28.8%) or spondylodiscitis (n = 32; 48.5%), considered as "difficult-to-treat" in 61 cases (92.4%). All received a prolonged (27.1 weeks; IQR, 16.9-36.1) combined antimicrobial therapy, after surgical management in 37 cases (56.1%). Sixteen treatment failures (24.2%) were observed during a median follow-up period of 63.3 weeks (IQR, 44.7-103.1), including 13 persisting infections, 1 relapse after treatment disruption, and 2 super-infections. Independent determinants of treatment failure were the existence of a sinus tract (odds ratio [OR], 5.300; 95% confidence interval [CI], 1.166-24.103) and a prolonged delay to infectious disease specialist referral (OR, 1.134; 95% CI 1.013-1.271). CONCLUSIONS: The important treatment failure rate pinpointed the difficulty of cure encountered in complicated native MSSA BJI. An early infectious disease specialist referral is essential, especially in debilitated patients or in presence of sinus tract