557 research outputs found
G.-M. Behler, Les Confessions de Jérémie, Collection : « Bible et Vie chrétienne ». Tournai, Casterman, 1959
No full textJacob Edmond. G.-M. Behler, Les Confessions de Jérémie, Collection : « Bible et Vie chrétienne ». Tournai, Casterman, 1959. In: Revue d'histoire et de philosophie religieuses, 43e année n°1,1963. pp. 106-107
Virtual reality test of visual performance: Selective attention, processing speed, and working memory
No full textBehler C, Poth CH, Foerster RM, Schneider WX, Botsch M. Virtual reality test of visual performance: Selective attention, processing speed, and working memory. Bielefeld University; 2018
Insights into Water Permeation through hBN Nanocapillaries by Ab Initio Machine Learning Molecular Dynamics Simulations
No full textAssessing visual processing capabilities using the virtual reality device Oculus Rift
No full textPoth CH, Foerster RM, Behler C, Botsch M, Schneider WX. Assessing visual processing capabilities using the virtual reality device Oculus Rift. Perception. 2016;45(2_suppl):287
Virtual reality test of visual performance: Processing speed and working memory
No full textBehler C, Poth CH, Foerster RM, Schneider WX, Botsch M. Virtual reality test of visual performance: Processing speed and working memory. Bielefeld University; 2016.This DOI contains the C++ code of our TVA-based (theory of visual attention, Bundesen, 1990) whole report assessment implemented on the virtual reality device Oculus Rift. The assessment meassures three components of visual processing capabilities: The visual processing speed, the threshold of conscious perception, and the capacity of visual working memory (for more information see Foerster, Poth, Behler, Botsch, & Schneider, 2016
Atomistic simulations of thermal conductivity in GeTe nanowires
No full textThe thermal conductivity of GeTe crystalline nanowires has been computed by means of non-equilibrium molecular dynamics simulations employing a machine learning interatomic potential. This material is of interest for application in phase change non-volatile memories. The resulting lattice thermal conductivity of an ultrathin nanowire (7.3 nm diameter) of 1.57 W m-1 K-1 is sizably lower than the corresponding bulk value of 3.15 W m-1 K-1 obtained within the same framework. The analysis of the phonon dispersion relations and lifetimes reveals that the lower thermal conductivity in the nanowire is mostly due to a reduction in the phonon group velocities. We further predict the presence of a minimum in the lattice thermal conductivity for thicker nanowires
Contemporary Issues and Trends Facing Occupational Therapy Faculty
No full textAbstract
Date Presented 3/31/2017
The study examined current academic issues and trends in occupational therapy (OT) education from the direct perspective of OT faculty. The study highlighted many different avenues that might enhance the quality of OT education and possibly affect the current OT educational workforce.
Primary Author and Speaker: Grace Fisher
Additional Authors and Speakers: Wilfredo Dones, Naromie Petit-Frere, Katlyn Dillow, Trevor Behler</jats:p
Presenting visual stimuli in ultra-high temporal resolution with gaming monitors
No full textPoth CH, Foerster RM, Behler C, Schwanecke U, Schneider WX, Botsch M. Presenting visual stimuli in ultra-high temporal resolution with gaming monitors. In: Schütz AC, Schubö A, Endres D, Lachnit H, eds. TeaP 2018. Abstracts of the 60th Conference of Experimental Psychologists. Lengerich: Pabst Science Publishers; 2018
Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions.
No full textThe accurate representation of multidimensional potential energy surfaces is a necessary requirement for realistic computer simulations of molecular systems. The continued increase in computer power accompanied by advances in correlated electronic structure methods nowadays enables routine calculations of accurate interaction energies for small systems, which can then be used as references for the development of analytical potential energy functions (PEFs) rigorously derived from many-body (MB) expansions. Building on the accuracy of the MB-pol many-body PEF, we investigate here the performance of permutationally invariant polynomials (PIPs), neural networks, and Gaussian approximation potentials (GAPs) in representing water two-body and three-body interaction energies, denoting the resulting potentials PIP-MB-pol, Behler-Parrinello neural network-MB-pol, and GAP-MB-pol, respectively. Our analysis shows that all three analytical representations exhibit similar levels of accuracy in reproducing both two-body and three-body reference data as well as interaction energies of small water clusters obtained from calculations carried out at the coupled cluster level of theory, the current gold standard for chemical accuracy. These results demonstrate the synergy between interatomic potentials formulated in terms of a many-body expansion, such as MB-pol, that are physically sound and transferable, and machine-learning techniques that provide a flexible framework to approximate the short-range interaction energy terms
Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics
No full textThe temperature dependence of vibrational spectra can provide information about structural changes of a system and also serve as a probe to identify different vibrational mode couplings. Fully anharmonic temperature-dependent calculations of these quantities are challenging due to the cost associated with statistically converging trajectory-based methods, especially when accounting for nuclear quantum effects. Here, we train a high-dimensional neural network potential energy surface for the porphycene molecule based on data generated with DFT-B3LYP, including pairwise van der Waals interactions. In addition, we fit a kernel ridge regression model for the molecular dipole moment surface. The combination of this machinery with thermostatted path integral molecular dynamics (TRPMD) allows us to obtain well-converged, full-dimensional, fully-anharmonic vibrational spectra including nuclear quantum effects, without sacrificing the first-principles quality of the potential-energy surface or the dipole surface. Within this framework, we investigate the temperature and isotopologue dependence of the high-frequency vibrational fingerprints of porphycene. While classical-nuclei dynamics predicts a red shift of the vibrations encompassing the NH and CH stretches, TRPMD predicts a strong blue shift in the NH-stretch region and a smaller one in the CH-stretch region. We explain this behavior by analyzing the modulation of the effective potential with temperature, which arises from vibrational coupling between quasi-classical thermally activated modes and high-frequency quantized modes
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