Self-learning Multiscale Simulation for Achieving High Accuracy and High Efficiency Simultaneously

We propose a new multi-scale molecular dynamics simulation method which can achieve high accuracy and high sampling efficiency simultaneously without aforehand knowledge of the coarse grained (CG) potential and test it for a biomolecular system. Based on the resolution exchange simulations between atomistic and CG replicas, a self-learning strategy is introduced to progressively improve the CG potential by an iterative way. Two tests show that, the new method can rapidly improve the CG potential and achieve efficient sampling even starting from an unrealistic CG potential. The resulting free energy agreed well with exact result and the convergence by the method was much faster than that by the replica exchange method. The method is generic and can be applied to many biological as well as non-biological problems.Comment: 14 pages, 6 figure

Systematic Errors in Future Weak Lensing Surveys: Requirements and Prospects for Self-Calibration

We study the impact of systematic errors on planned weak lensing surveys and compute the requirements on their contributions so that they are not a dominant source of the cosmological parameter error budget. The generic types of error we consider are multiplicative and additive errors in measurements of shear, as well as photometric redshift errors. In general, more powerful surveys have stronger systematic requirements. For example, for a SNAP-type survey the multiplicative error in shear needs to be smaller than 1%(fsky/0.025)^{-1/2} of the mean shear in any given redshift bin, while the centroids of photometric redshift bins need to be known to better than 0.003(fsky/0.025)^{-1/2}. With about a factor of two degradation in cosmological parameter errors, future surveys can enter a self-calibration regime, where the mean systematic biases are self-consistently determined from the survey and only higher-order moments of the systematics contribute. Interestingly, once the power spectrum measurements are combined with the bispectrum, the self-calibration regime in the variation of the equation of state of dark energy w_a is attained with only a 20-30% error degradation.Comment: 20 pages, 9 figures, to be submitted to MNRAS. Comments are welcom

A point mutation of integrin beta 1 subunit blocks binding of alpha 5 beta 1 to fibronectin and invasin but not recruitment to adhesion plaques.

A point mutation in a highly conserved region of the beta 1 subunit, Asp130 to Ala (D130A) substitution, abrogates the Arg-Gly-Asp (RGD)-dependent binding of alpha 5 beta 1 to fibronectin (FN) without disrupting gross structure or heterodimer assembly. The D130A mutation also interferes with binding to invasin, a ligand that lacks RGD sequence. In spite of the lack of detectable FN binding by alpha 5 beta 1(D130A), it was recruited to adhesion plaques formed on FN by endogenous hamster receptors. Thus, intact ligand binding function is not required for recruitment of alpha 5 beta 1 to adhesion plaques. Overexpression of beta 1(D130A) partially interfered with endogenous alpha 5 beta 1 function, thus defining a dominant negative beta 1 integrin mutation

Charge-fluctuation contribution to the Raman response in superconducting cuprates

We calculate the Raman response contribution due to collective modes, finding a strong dependence on the photon polarizations and on the characteristic wavevectors of the modes. We compare our results with recent Raman spectroscopy experiments in underdoped cuprates, $La_{2-x}Sr_xCuO_4$ and $(Y_{1.97}Ca_{0.3})Ba_2CuO_{6.05}$, where anomalous low-energy peaks are observed, which soften upon lowering the temperature. We show that the specific dependence on doping and on photon polarizations of these peaks is only compatible with charge collective excitations at finite wavelength.Comment: 5 pages, 3 figure

Measurement of the Transmission Phase of an Electron in a Quantum Two-Path Interferometer

A quantum two-path interferometer allows for direct measurement of the transmission phase shift of an electron, providing useful information on coherent scattering problems. In mesoscopic systems, however, the two-path interference is easily smeared by contributions from other paths, and this makes it difficult to observe the \textit{true} transmission phase shift. To eliminate this problem, multi-terminal Aharonov-Bohm (AB) interferometers have been used to derive the phase shift by assuming that the relative phase shift of the electrons between the two paths is simply obtained when a smooth shift of the AB oscillations is observed. Nevertheless the phase shifts using such a criterion have sometimes been inconsistent with theory. On the other hand, we have used an AB ring contacted to tunnel-coupled wires and acquired the phase shift consistent with theory when the two output currents through the coupled wires oscillate with well-defined anti-phase. Here, we investigate thoroughly these two criteria used to ensure a reliable phase measurement, the anti-phase relation of the two output currents and the smooth phase shift in the AB oscillation. We confirm that the well-defined anti-phase relation ensures a correct phase measurement with a quantum two-path interference. In contrast we find that even in a situation where the anti-phase relation is less well-defined, the smooth phase shift in the AB oscillation can still occur but does not give the correct transmission phase due to contributions from multiple paths. This indicates that the phase relation of the two output currents in our interferometer gives a good criterion for the measurement of the \textit{true} transmission phase while the smooth phase shift in the AB oscillation itself does not.Comment: 5 pages, 4 figure

Implication of Omega_m through the Morphological Analysis of Weak Lensing Fields

We apply the morphological descriptions of two-dimensional contour map, the so-called Minkowski functionals (the area fraction, circumference, and Euler characteristics), to the convergence field $\kappa(\bm{\theta})$ of the large-scale structure reconstructed from the shear map produced by the ray-tracing simulations. The perturbation theory of structure formation has suggested that the non-Gaussian features on the Minkowski functionals with respect to the threshold in the weakly nonlinear regime are induced by the three skewness parameters of $\kappa$ that are sensitive to the density parameter of matter, $\Omega_{\rm m}$. We show that, in the absence of noise due to the intrinsic ellipticities of source galaxies with which the perturbation theory results can be recovered, the accuracy of $\Omega_{\rm m}$ determination is improved by $\sim 20$ using the Minkowski functionals compared to the conventional method of using the direct measure of skewness.Comment: 4 pages, 3 figures, to appear in ApJ Lette

Electronic Collective Modes and Superconductivity in Layered Conductors

A distinctive feature of layered conductors is the presence of low-energy electronic collective modes of the conduction electrons. This affects the dynamic screening properties of the Coulomb interaction in a layered material. We study the consequences of the existence of these collective modes for superconductivity. General equations for the superconducting order parameter are derived within the strong-coupling phonon-plasmon scheme that account for the screened Coulomb interaction. Specifically, we calculate the superconducting critical temperature Tc taking into account the full temperature, frequency and wave-vector dependence of the dielectric function. We show that low-energy plasmons may contribute constructively to superconductivity. Three classes of layered superconductors are discussed within our model: metal-intercalated halide nitrides, layered organic materials and high-Tc oxides. In particular, we demonstrate that the plasmon contribution (electronic mechanism) is dominant in the first class of layered materials. The theory shows that the description of so-called ``quasi-two-dimensional superconductors'' cannot be reduced to a purely 2D model, as commonly assumed. While the transport properties are strongly anisotropic, it remains essential to take into account the screened interlayer Coulomb interaction to describe the superconducting state of layered materials.Comment: Final version (minor changes) 14 pages, 6 figure

Cross-correlating the Thermal Sunyaev-Zel'dovich Effect and the Distribution of Galaxy Clusters

We present the analytical formulas, derived based on the halo model, to compute the cross-correlation between the thermal Sunyaev-Zel'dovich (SZ) effect and the distribution of galaxy clusters. By binning the clusters according to their redshifts and masses, this cross-correlation, the so-called stacked SZ signal, reveals the average SZ profile around the clusters. The stacked SZ signal is obtainable from a joint analysis of an arcminute-resolution cosmic microwave background (CMB) experiment and an overlapping optical survey, which allows for detection of the SZ signals for clusters whose masses are below the individual cluster detection threshold. We derive the error covariance matrix for measuring the stacked SZ signal, and then forecast for its detection from ongoing and forthcoming combined CMB-optical surveys. We find that, over a wide range of mass and redshift, the stacked SZ signal can be detected with a significant signal to noise ratio (total S/N \gsim 10), whose value peaks for the clusters with intermediate masses and redshifts. Our calculation also shows that the stacking method allows for probing the clusters' SZ profiles over a wide range of scales, even out to projected radii as large as the virial radius, thereby providing a promising way to study gas physics at the outskirts of galaxy clusters.Comment: 11 pages, 6 figures, 3 tables, minor revisions reflect PRD published versio