Performance Analysis of Two Quantum Reaction Dynamics Codes: Time-Dependent and Time-Independent Strategies

The computer simulation of reaction dynamics has nowadays reached a remarkable degree of accuracy. Triatomic elementary reactions are rigorously studied with great detail on a straightforward basis using a considerable variety of Quantum Dynamics computational tools available to the scientific community. In our contribution we compare the performance of two quantum scattering codes in the computation of reaction cross sections of a triatomic benchmark reaction such as the gas phase reaction Ne + H2+ %12. NeH++ H. The computational codes are selected as representative of time-dependent (Real Wave Packet [ ]) and time-independent (ABC [ ]) methodologies. The main conclusion to be drawn from our study is that both strategies are, to a great extent, not competing but rather complementary. While time-dependent calculations advantages with respect to the energy range that can be covered in a single simulation, time-independent approaches offer much more detailed information from each single energy calculation. Further details such as the calculation of reactivity at very low collision energies or the computational effort related to account for the Coriolis couplings are analyzed in this paper.

Effective Electrodiffusion equation for non uniform nanochannels

We derive a one dimensional formulation of the Planck-Nernst-Poisson equation to describe the dynamics of of a symmetric binary electrolyte in channels whose section is of nanometric section and varies along the axial direction. The approach is in the spirit of the Fick-Jacobs di fusion equation and leads to a system of coupled equations for the partial densities which depends on the charge sitting at the walls in a non trivial fashion. We consider two kinds of non uniformities, those due to the spatial variation of charge distribution and those due to the shape variation of the pore and report one and three-dimensional solutions of the electrokinetic equations.

Adquisició de les codes complexes finals del català per part d'alumnat panjabi: el mètode experimental

En aquest treball estudiem l’adquisició del català per part de parlants que tenen el panjabi com a primera llengua, concretament en relació amb les codes complexes de final de mot, per a aprenents d’un nivell inicial de català

Z2Z4-Additive Perdect Codes in Steganography

Steganography is an information hiding application which aims tohide secret data imperceptibly into a cover object. In this paper, we describe anovel coding method based on Z2Z4-additive codes in which data is embeddedby distorting each cover symbol by one unit at most (+-1-steganography). Thismethod is optimal and solves the problem encountered by the most e cientmethods known today, concerning the treatment of boundary values. Theperformance of this new technique is compared with that of the mentionedmethods and with the well-known rate-distortion upper bound to conclude thata higher payload can be obtained for a given distortion by using the proposedmethod.