• Pattern recognition and data mining software based on artificial neural networks applied to proton transfer in aqueous environments 

    Tahat, Amani; Martí Rabassa, Jordi; Khwaldeh, Ali; Tahat, Kaher (2014-02-10)
    Article
    Accés restringit per política de l'editorial
    In computational physics proton transfer phenomena could be viewed as pattern classification problems based on a set of input features allowing to classify the proton motion into two categories: transfer‘occurred’and ...
  • Proton transfer in liquid water confined inside graphene slabs 

    Tahat, Amani; Martí Rabassa, Jordi (2015-09-09)
    Article
    Accés obert
    The microscopic structure and dynamics of an excess proton in water constrained in narrow graphene slabs between 0.7 and 3.1 nm wide has been studied by means of a series of molecular dynamics simulations. Interaction of ...
  • Software refactoring: solving the time-dependent Schrodinger equation via fast Fourier transforms and parallel programming 

    Khwaldeh, Ali; Tahat, Amani; Martí Rabassa, Jordi (2012-10-30)
    Article
    Accés restringit per política de l'editorial
    In this study a multiprocessor C++ message passing interface implementation of a new bit-reversal algorithm to numerically solve the time dependent Schrodinger equation using a spectral method based on Fourier transform ...
  • WM Program manual 

    Tahat, Amani; Martí Rabassa, Jordi; Tahat, Mohammed (2014-02-26)
    Altres
    Accés obert
    This manual describes how to run the new produced GUI C++ program that so called 'WM' program. Section two describes the instructions of the program installation. Section three illustrates test runs description including ...