Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning

We combine the approximate density-functional tight-binding (DFTB) method with unsupervised machine learning. This allows us to improve transferability and accuracy, make use of large quantum chemical data sets for the parametrization, and efficiently automatize the parametrization process of DFTB. For this purpose, generalized pair-potentials are introduced, where the chemical environment is included during the learning process, leading to more specific effective two-body potentials. We train on energies and forces of equilibrium and nonequilibrium structures of 2100 molecules, and test on ∼130 000 organic molecules containing O, N, C, H, and F atoms. Atomization energies of the reference method can be reproduced within an error of ∼2.6 kcal/mol, indicating drastic improvement over standard DFTB

A search for edge-on galaxy lenses in the CFHT Legacy Survey

[ABRIDGED] The new generation of wide field optical imaging like the Canada France Hawaii Telescope Legacy Survey (CFHTLS) enables discoveries of all types of gravitational lenses present in the sky. The Strong Lensing Legacy Survey (SL2S) project has started an inventory, respectively for clusters or groups of galaxies lenses, and for Einstein rings around distant massive ellipticals. Here we attempt to extend this inventory by finding lensing events produced by massive edge-on disk galaxies which remains a poorly documented class of lenses. We implement and test an automated search procedure of edge-on galaxy lenses in the CFHTLS Wide fields with magnitude 18Comment: several major edits, 8 pages, A&A accepte

Quantum point contact on graphite surface

The conductance through a quantum point contact created by a sharp and hard metal tip on the graphite surface has features which to our knowledge have not been encountered so far in metal contacts or in nanowires. In this paper we first investigate these features which emerge from the strongly directional bonding and electronic structure of graphite, and provide a theoretical understanding for the electronic conduction through quantum point contacts. Our study involves the molecular-dynamics simulations to reveal the variation of interlayer distances and atomic structure at the proximity of the contact that evolves by the tip pressing toward the surface. The effects of the elastic deformation on the electronic structure, state density at the Fermi level, and crystal potential are analyzed by performing self-consistent-field pseudopotential calculations within the local-density approximation. It is found that the metallicity of graphite increases under the uniaxial compressive strain perpendicular to the basal plane. The quantum point contact is modeled by a constriction with a realistic potential. The conductance is calculated by representing the current transporting states in Laue representation, and the variation of conductance with the evolution of contact is explained by taking the characteristic features of graphite into account. It is shown that the sequential puncturing of the layers characterizes the conductance.Comment: LaTeX, 11 pages, 9 figures (included), to be published in Phys. Rev. B, tentatively scheduled for 15 September 1998 (Volume 58, Number 12

LoRattle - An Exploratory Game with a Purpose Using LoRa and IoT

The Internet of Things (IoT) is opening new possibilities for sensing, monitoring and actuating in urban environments. They sup port a shift to a hybrid network of humans and things collaborating in production, transmission and processing of data through low-cost and low power devices connected via long-range (LoRa) wide area networks (WAN). This paper describes a 2-player duel game based on IoT con trollers and LoRa radio communication protocol. Here we report on the main evaluation dimensions of this new design space for games, namely: (i) game usability (SUS) leading to an above average score; (ii) affective states of the players (SAM) depicting pleasant and engaging gameplay, while players retain control; (iii) radio coverage perception (RCP) show ing that most participants did not change their perception of the radio distance after playing. Finally, we discuss the findings and propose future interactive applications to take advantage of this design space.info:eu-repo/semantics/publishedVersio

Hamlet and the fall of the Berlin wall : the myth of interventionist Shakespeare performance

The critical reception of Heiner Müller’s 1990 Hamlet/Maschine at the Deutsches Theater in East Berlin epitomizes a trend of crediting GDR Shakespeare performance with political influence. Drawing on rehearsal notes and reviews, Oliver challenges the interventionist Shakespeare myth, contrasting the Deutsches Theater’s political involvement with the impact of its Hamlet production on events surrounding the fall of the Berlin Wall. Shakespeare’s capacity for political intervention at this point was limited by theater practitioners’ reliance on public funding, their close relationships with governmental authority, and an underlying distrust of the masses. Ultimately, GDR artists proved useful to the 1989 protest movement because they occupied a unique position at the interface of dissidence and power

The Gas Content in Galactic Disks: Correlation with Kinematics

We consider the relationship between the total HI mass in late-type galaxies and the kinematic properties of their disks. The mass $M_HI$ for galaxies with a wide variety of properties, from dwarf dIrr galaxies with active star formation to giant low-brightness galaxies, is shown to correlate with the product $V_c R_0$ ($V_c$ is the rotational velocity, and $R_0$ is the radial photometric disks scale length), which characterizes the specific angular momentum of the disk. This relationship, along with the anticorrelation between the relative mass of HI in a galaxy and $V_c$, can be explained in terms of the previously made assumption that the gas density in the disks of most galaxies is maintained at a level close to the threshold (marginal) stability of a gaseous layer to local gravitational perturbations. In this case, the regulation mechanism of the star formation rate associated with the growth of local gravitational instability in the gaseous layer must play a crucial role in the evolution of the gas content in the galactic disk.Comment: revised version to appear in Astronomy Letters, 8 pages, 5 EPS figure

Observational Evidence Against Long-Lived Spiral Arms in Galaxies

We test whether the spiral patterns apparent in many large disk galaxies should be thought of as dynamical features that are stationary in a co-rotating frame for > t_{dyn}, as implied by the density wave approach for explaining spiral arms. If such spiral arms have enhanced star formation (SF), observational tracers for different stages of the SF sequence should show a spatial ordering, from up-stream to downstream in the corotating frame: dense HI, CO, tracing molecular hydrogen gas, 24 micron emission tracing enshrouded SF and UV emission tracing unobscured young stars. We argue that such a spatial ordering should be reflected in the angular cross-correlation (CC, in polar coordinates) using all azimuthal positions among pairs of these tracers; the peak of the CC should be offset from zero, in different directions inside and outside the corotation radius. Recent spiral SF simulations by Dobbs & Pringle, show explicitly that for the case of a stationary spiral arm potential such angular offsets between gas and young stars of differing ages should be observable as cross-correlation offsets. We calculate the angular cross-correlations for different observational SF sequence tracers in 12 nearby spiral galaxies, drawing on a data set with high quality maps of the neutral gas HI, THINGS), molecular gas (CO, HERACLES) along with 24 micron emission (Spitzer, SINGS); we include FUV images (GALEX) and 3.6 $\mu$m emission (Spitzer, IRAC) for some galaxies, tracing aging stars and longer timescales. In none of the resulting tracer cross-correlations for this sample do we find systematic angular offsets, which would be expected for a stationary dynamical spiral pattern of well-defined pattern speed. This result indicates that spiral density waves in their simplest form are not an important aspect of explaining spirals in large disk galaxies.Comment: 13 pages, 16 figure

Toward A Brain-Based Theory of Beauty

We wanted to learn whether activity in the same area(s) of the brain correlate with the experience of beauty derived from different sources. 21 subjects took part in a brain-scanning experiment using functional magnetic resonance imaging. Prior to the experiment, they viewed pictures of paintings and listened to musical excerpts, both of which they rated on a scale of 1-9, with 9 being the most beautiful. This allowed us to select three sets of stimuli-beautiful, indifferent and ugly-which subjects viewed and heard in the scanner, and rated at the end of each presentation. The results of a conjunction analysis of brain activity showed that, of the several areas that were active with each type of stimulus, only one cortical area, located in the medial orbito-frontal cortex (mOFC), was active during the experience of musical and visual beauty, with the activity produced by the experience of beauty derived from either source overlapping almost completely within it. The strength of activation in this part of the mOFC was proportional to the strength of the declared intensity of the experience of beauty. We conclude that, as far as activity in the brain is concerned, there is a faculty of beauty that is not dependent on the modality through which it is conveyed but which can be activated by at least two sources-musical and visual-and probably by other sources as well. This has led us to formulate a brain-based theory of beauty