Browsing by Author "Tahat, Amani"
Now showing items 1-8 of 8
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Atomic data mining numerical methods, source code SQlite with Python
(2013-02-27)
Article
Restricted access - publisher's policyThis paper introduces a recently published Python data mining book (chapters, topics, samples of Python source code written by its authors) to be used in data mining via world wide web and any specific database in several ... -
Dynamical aspects of intermolecular proton transfer in liquid water and low-density amorphous ices
(2014-05-19)
Article
Open AccessThe microscopic dynamics of an excess proton in water and in low-density amorphous ices has been studied by means of a series of molecular dynamics simulations. Interaction of water with the proton species was modelled ... -
Maintenance and reengineering of software: creating a Visual C++ graphical user interface to perform specific tasks related to soil structure interaction in poroelastic soil
(2012-08-27)
Article
Restricted access - publisher's policyIn this study, an interactive Graphical User Interface (GUI) application was introduced and tested. It worked as a utility program to facilitate and maximize the re-use of existing FORTRAN software. The GUI had been designed ... -
Multistate empirical valence bond study of temperature and confinement effects on proton transfer in water inside hydrophobic nanochannels
(2016-05-17)
Article
Open AccessMicroscopic characteristics of an aqueous excess proton in a wide range of thermodynamic states, from low density amorphous ices (down to 100 K) to high temperature liquids under the critical point (up to 600 K), placed ... -
Pattern recognition and data mining software based on artificial neural networks applied to proton transfer in aqueous environments
(2014-02-10)
Article
Restricted access - publisher's policyIn 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
(2015-09-09)
Article
Open AccessThe 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
(2012-10-30)
Article
Restricted access - publisher's policyIn 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
(2014-02-26)
Other
Open AccessThis 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 ...
