Search results for "computational method"
showing 10 items of 30 documents
A Curvature Based Method for Blind Mesh Visual Quality Assessment Using a General Regression Neural Network
2016
International audience; No-reference quality assessment is a challenging issue due to the non-existence of any information related to the reference and the unknown distortion type. The main goal is to design a computational method to objectively predict the human perceived quality of a distorted mesh and deal with the practical situation when the reference is not available. In this work, we design a no reference method that relies on the general regression neural network (GRNN). Our network is trained using the mean curvature which is an important perceptual feature representing the visual aspect of a 3D mesh. Relatively to the human subjective scores, the trained network successfully asses…
Co-occurrence of resonant activation and noise-enhanced stability in a model of cancer growth in the presence of immune response.
2006
We investigate a stochastic version of a simple enzymatic reaction which follows the generic Michaelis-Menten kinetics. At sufficiently high concentrations of reacting species, the molecular fluctuations can be approximated as a realization of a Brownian dynamics for which the model reaction kinetics takes on the form of a stochastic differential equation. After eliminating a fast kinetics, the model can be rephrased into a form of a one-dimensional overdamped Langevin equation. We discuss physical aspects of environmental noises acting in such a reduced system, pointing out the possibility of coexistence of dynamical regimes where noise-enhanced stability and resonant activation phenomena …
First-principles modelling for time-resolved ARPES under different pump-probe conditions
2021
First-principles methods for time-resolved angular resolved photoelectron spectroscopy play a pivotal role in providing interpretation and microscopic understanding of the complex experimental data and in exploring novel observables or observation conditions that may be achieved in future experiments. Here we describe an efficient, reliable and scalable first-principles method for tr-ARPES based on time-dependent density functional theory including propagation and surface effects usually discarded in the widely used many-body techniques based on computing the non-equilibrium spectral function and discuss its application to a variety of pump–probe conditions. We identify four conditions, dep…
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra
2016
Recent advances in laser technology allow us to follow electronic motion at its natural time-scale with ultra-fast time resolution, leading the way towards attosecond physics experiments of extreme precision. In this work, we assess the use of tailored pumps in order to enhance (or reduce) some given features of the probe absorption (for example, absorption in the visible range of otherwise transparent samples). This type of manipulation of the system response could be helpful for its full characterization, since it would allow us to visualize transitions that are dark when using unshaped pulses. In order to investigate these possibilities, we perform first a theoretical analysis of the non…
Geostatistical computing of acoustic maps in the presence of barriers
2009
Acoustic maps are the main diagnostic tools used by authorities for addressing the growing problem of urban acoustic contamination. Geostatistics models phenomena with spatial variation, but restricted to homogeneous prediction regions. The presence of barriers such as buildings introduces discontinuities in prediction areas. In this paper we investigate how to incorporate information of a geographical nature into the process of geostatistical prediction. In addition, we study the use of a Cost-Based distance to quantify the correlation between locations.
Lifetime of the superconductive state in short and long Josephson junctions
2008
We study the transient statistical properties of short and long Josephson junctions under the influence of thermal and correlated fluctuations. In particular, we investigate the lifetime of the superconductive metastable state finding the presence of noise induced phenomena. For short Josephson junctions we investigate the lifetime as a function both of the frequency of the current driving signal and the noise intensity and we find how these noise-induced effects are modified by the presence of a correlated noise source. For long Josephson junctions we integrate numerically the sine-Gordon equation calculating the lifetime as a function of the length of the junction both for inhomogeneous a…
H−ZSM-5 Modified Zeolite: Quantum Chemical Models of Acidic Sites
2007
A ZSM-5 fragment, containing 52 tetrahedral moieties, each of them formed by one silicon or one aluminum atom surrounded by four oxygen atoms, was employed to model (52T systems) by quantum chemical calculations (i) the influence of the positions of the acidic sites on the energetics of 22 aluminum monosubstituted and bisubstituted 52T acidic zeolite (H-ZSM-5) systems and (ii) the local adsorption properties and acidic strength of the corresponding -OH sites. The energetics and the structural properties of simpler acid H-ZSM-5 systems containing only five Tetrahedral moieties (5T systems) were also modeled for comparison. B3LYP/6-31G(d,p) partial geometry optimization routines were performe…
MicroRNA Interaction Networks
2021
La tesi di Giorgio Bertolazzi è incentrata sullo sviluppo di nuovi algoritmi per la predizione dei legami miRNA-mRNA. In particolare, un algoritmo di machine-learning viene proposto per l'upgrade del web tool ComiR; la versione originale di ComiR considerava soltanto i siti di legame dei miRNA collocati nella regione 3'UTR dell'RNA messaggero. La nuova versione di ComiR include nella ricerca dei legami la regione codificante dell'RNA messaggero. Bertolazzi’s thesis focuses on developing and applying computational methods to predict microRNA binding sites located on messenger RNA molecules. MicroRNAs (miRNAs) regulate gene expression by binding target messenger RNA molecules (mRNAs). Therefo…
Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
2017
We derive and extend the time-dependent surface-flux method introduced in [L. Tao, A. Scrinzi, New J. Phys. 14, 013021 (2012)] within a time-dependent density-functional theory (TDDFT) formalism and use it to calculate photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses. We present other, existing computational TDDFT methods that are suitable for the calculation of electron emission in compact spatial regions, and compare their results. We illustrate the performance of the new method by simulating strong-field ionization of C60 fullerene and discuss final state effects in the orbital reconstruction of planar organic molecules.
HAWK 2.0: A Monte Carlo program for Higgs production in vector-boson fusion and Higgs strahlung at hadron colliders
2019
Abstract The Monte Carlo integrator HAWK provides precision predictions for Higgs production at hadron colliders in vector-boson fusion and Higgs strahlung, i.e. in production processes where the Higgs boson is Attached to WeaK bosons. The fully differential predictions include the full QCD and electroweak next-to-leading-order corrections. Results are computed as integrated cross sections and as binned distributions for important hadron-collider observables. Title of program: HAWK, version 2.0 Catalogue Id: AEWT_v1_0 Nature of problem Precision calculation of cross sections and differential distributions for Higgs-boson production in vector-boson fusion and Higgs strahlung at the LHC as de…