11,492 research outputs found

    Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis

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    This paper reviews the work of the Chemoinformatics Research Group in the Department of Information Studies at the University of Sheffield, focusing particularly on the work carried out in the period 1985-2002. Four major research areas are discussed, these involving the development of methods for: substructure searching in databases of three-dimensional structures, including both rigid and flexible molecules; the representation and searching of the Markush structures that occur in chemical patents; similarity searching in databases of both two-dimensional and three-dimensional structures; and compound selection and the design of combinatorial libraries. An analysis of citations to 321 publications from the Group shows that it attracted a total of 3725 residual citations during the period 1980-2002. These citations appeared in 411 different journals, and involved 910 different citing organizations from 54 different countries, thus demonstrating the widespread impact of the Group's work

    Gravitational waveforms with controlled accuracy

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    A partially first-order form of the characteristic formulation is introduced to control the accuracy in the computation of gravitational waveforms produced by highly distorted single black hole spacetimes. Our approach is to reduce the system of equations to first-order differential form on the angular derivatives, while retaining the proven radial and time integration schemes of the standard characteristic formulation. This results in significantly improved accuracy over the standard mixed-order approach in the extremely nonlinear post-merger regime of binary black hole collisions.Comment: Revised version, published in Phys. Rev. D, RevTeX, 16 pages, 4 figure

    Linearized solutions of the Einstein equations within a Bondi-Sachs framework, and implications for boundary conditions in numerical simulations

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    We linearize the Einstein equations when the metric is Bondi-Sachs, when the background is Schwarzschild or Minkowski, and when there is a matter source in the form of a thin shell whose density varies with time and angular position. By performing an eigenfunction decomposition, we reduce the problem to a system of linear ordinary differential equations which we are able to solve. The solutions are relevant to the characteristic formulation of numerical relativity: (a) as exact solutions against which computations of gravitational radiation can be compared; and (b) in formulating boundary conditions on the r=2Mr=2M Schwarzschild horizon.Comment: Revised following referee comment

    Valley polarization and susceptibility of composite fermions around nu=3/2

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    We report magnetotransport measurements of fractional quantum Hall states in an AlAs quantum well around Landau level filling factor nu = 3/2, demonstrating that the quasiparticles are composite Fermions (CFs) with a valley degree of freedom. By monitoring the valley level crossings for these states as a function of applied symmetry-breaking strain, we determine the CF valley susceptibility and polarization. The data can be explained well by a simple Landau level fan diagram for CFs, and are in nearly quantitative agreement with the results reported for CF spin polarization.Comment: to appear in Phys. Rev. Let

    Observation of Quantum Hall Valley Skyrmions

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    We report measurements of the interaction-induced quantum Hall effect in a spin-polarized AlAs two-dimensional electron system where the electrons occupy two in-plane conduction band valleys. Via the application of in-plane strain, we tune the energies of these valleys and measure the energy gap of the quantum Hall state at filling factor ν\nu = 1. The gap has a finite value even at zero strain and, with strain, rises much faster than expected from a single-particle picture, suggesting that the lowest energy charged excitations at ν=1\nu=1 are "valley Skyrmions".Comment: 4 pages, 3 figure

    Electronic polarons in an extended Falicov-Kimball model

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    We examine the one-dimensional spinless Falicov-Kimball model extended by a hybridization potential between the localized and itinerant electron states. Below half-filling we find a crossover from a mixed-valence metal to an integer-valence phase separated state with increasing on-site Coulomb repulsion. This crossover regime is characterized by local competition between the strong- and weak-coupling behaviour, manifested by the formation of an electronic polaron liquid. We identify this intermediate-coupling regime as a charge-analogy of the Griffiths phase; a phase diagram is presented and discussed in detail.Comment: RevTex, 10 pages, 1 figure; revised discussio
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