Constant Size Molecular Descriptors For Use With Machine Learning

A set of molecular descriptors whose length is independent of molecular size is developed for machine learning models that target thermodynamic and electronic properties of molecules. These features are evaluated by monitoring performance of kernel ridge regression models on well-studied data sets of small organic molecules. The features include connectivity counts, which require only the bonding pattern of the molecule, and encoded distances, which summarize distances between both bonded and non-bonded atoms and so require the full molecular geometry. In addition to having constant size, these features summarize information regarding the local environment of atoms and bonds, such that models can take advantage of similarities resulting from the presence of similar chemical fragments across molecules. Combining these two types of features leads to models whose performance is comparable to or better than the current state of the art. The features introduced here have the advantage of leading to models that may be trained on smaller molecules and then used successfully on larger molecules.Comment: 18 pages, 5 figure

No quasi-long-range order in strongly disordered vortex glasses: a rigorous proof

The paper contains a rigorous proof of the absence of quasi-long-range order in the random-field O(N) model for strong disorder in the space of an arbitrary dimensionality. This result implies that quasi-long-range order inherent to the Bragg glass phase of the vortex system in disordered superconductors is absent as the disorder or external magnetic field is strong.Comment: 3 pages, Revte

On the Topology of Black Hole Event Horizons in Higher Dimensions

In four dimensions the topology of the event horizon of an asymptotically flat stationary black hole is uniquely determined to be the two-sphere $S^2$. We consider the topology of event horizons in higher dimensions. First, we reconsider Hawking's theorem and show that the integrated Ricci scalar curvature with respect to the induced metric on the event horizon is positive also in higher dimensions. Using this and Thurston's geometric types classification of three-manifolds, we find that the only possible geometric types of event horizons in five dimensions are $S^3$ and $S^2 \times S^1$. In six dimensions we use the requirement that the horizon is cobordant to a four-sphere (topological censorship), Friedman's classification of topological four-manifolds and Donaldson's results on smooth four-manifolds, and show that simply connected event horizons are homeomorphic to $S^4$ or $S^2\times S^2$. We find allowed non-simply connected event horizons $S^3\times S^1$ and $S^2\times \Sigma_g$, and event horizons with finite non-abelian first homotopy group, whose universal cover is $S^4$. Finally, following Smale's results we discuss the classification in dimensions higher than six.Comment: 12 pages, minor edits 27/09/0

Supernova 2012ec: Identification of the progenitor and early monitoring with PESSTO

We present the identification of the progenitor of the Type IIP SN 2012ec in archival pre-explosion HST WFPC2 and ACS/WFC F814W images. The properties of the progenitor are further constrained by non-detections in pre-explosion WFPC2 F450W and F606W images. We report a series of early photometric and spectroscopic observations of SN 2012ec. The r'-band light curve shows a plateau with M(r')=-17.0. The early spectrum is similar to the Type IIP SN 1999em, with the expansion velocity measured at Halpha absorption minimum of -11,700 km/s (at 1 day post-discovery). The photometric and spectroscopic evolution of SN 2012ec shows it to be a Type IIP SN, discovered only a few days post-explosion (<6d). We derive a luminosity for the progenitor, in comparison with MARCS model SEDs, of log L/Lsun = 5.15+/-0.19, from which we infer an initial mass range of 14-22Msun. This is the first SN with an identified progenitor to be followed by the Public ESO Spectroscopic Survey of Transient Objects (PESSTO).Comment: 6 pages, 3 figures, MNRAS accepte

Travelling waves in a drifting flux lattice

Starting from the time-dependent Ginzburg-Landau (TDGL) equations for a type II superconductor, we derive the equations of motion for the displacement field of a moving vortex lattice without inertia or pinning. We show that it is linearly stable and, surprisingly, that it supports wavelike long-wavelength excitations arising not from inertia or elasticity but from the strain-dependent mobility of the moving lattice. It should be possible to image these waves, whose speeds are a few \mu m/s, using fast scanning tunnelling microscopy.Comment: 4 pages, revtex, 2 .eps figures imbedded in paper, title shortened, minor textual change

An outburst from a massive star 40 days before a supernova explosion

Various lines of evidence suggest that very massive stars experience extreme mass-loss episodes shortly before they explode as a supernova. Interestingly, several models predict such pre-explosion outbursts. Establishing a causal connection between these mass-loss episodes and the final supernova explosion will provide a novel way to study pre-supernova massive-star evolution. Here we report on observations of a remarkable mass-loss event detected 40 days prior to the explosion of the Type IIn supernova SN 2010mc (PTF 10tel). Our photometric and spectroscopic data suggest that this event is a result of an energetic outburst, radiating at least 6x10^47 erg of energy, and releasing about 0.01 Solar mass at typical velocities of 2000 km/s. We show that the temporal proximity of the mass-loss outburst and the supernova explosion implies a causal connection between them. Moreover, we find that the outburst luminosity and velocity are consistent with the predictions of the wave-driven pulsation model and disfavor alternative suggestions.Comment: Nature 494, 65, including supplementary informatio

Dark Matter and Pseudo-flat Directions in Weakly Coupled SUSY Breaking Sectors

We consider candidates for dark matter in models of gauge mediated supersymmetry breaking, in which the supersymmetry breaking sector is weakly coupled and calculable. Such models typically contain classically flat directions, that receive one-loop masses of a few TeV. These pseudo-flat directions provide a new mechanism to account for the cold dark matter relic abundance. We discuss also the possibility of heavy gravitino dark matter in such models.Comment: 16 pages, 2 figures. v2: comments, refs adde

Transform-limited pulses are not optimal for resonant multiphoton transitions

Maximizing nonlinear light-matter interactions is a primary motive for compressing laser pulses to achieve ultrashort transform limited pulses. Here we show how, by appropriately shaping the pulses, resonant multiphoton transitions can be enhanced significantly beyond the level achieved by maximizing the pulse's peak intensity. We demonstrate the counterintuitive nature of this effect with an experiment in a resonant two-photon absorption, in which, by selectively removing certain spectral bands, the peak intensity of the pulse is reduced by a factor of 40, yet the absorption rate is doubled. Furthermore, by suitably designing the spectral phase of the pulse, we increase the absorption rate by a factor of 7.Comment: 4 pages, 3 figure

Close-packed floating clusters: granular hydrodynamics beyond the freezing point?

Monodisperse granular flows often develop regions with hexagonal close packing of particles. We investigate this effect in a system of inelastic hard spheres driven from below by a "thermal" plate. Molecular dynamics simulations show, in a wide range of parameters, a close-packed cluster supported by a low-density region. Surprisingly, the steady-state density profile, including the close-packed cluster part, is well described by a variant of Navier-Stokes granular hydrodynamics (NSGH). We suggest a simple explanation for the success of NSGH beyond the freezing point.Comment: 4 pages, 5 figures. To appear in Phys. Rev. Let

Electron-lattice relaxation, and soliton structures and their interactions in polyenes

Density matrix renormalisation group calculations of a suitably parametrised model of long polyenes (polyacetylene oligomers), which incorporates both long range Coulomb interactions and adiabatic lattice relaxation, are presented. The triplet and 2Ag states are found to have a 2-soliton and 4-soliton form, respectively, both with large relaxation energies. The 1Bu state forms an exciton-polaron and has a very small relaxation energy. The relaxed energy of the 2Ag state lies below that of the 1Bu state. The soliton/anti-soliton pairs are bound.Comment: RevTeX, 5 pages, 4 eps figures included using epsf. To appear in Physical Review Letters. Fig. 1 fixed u