Filomena F. M. Freitas

University of Lisbon — Portugal

Engineering · Physical Sciences

9h-index171citations26works0.02yr avg
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Research Topics

Phase Equilibria and Thermodynamics(10), Advanced Chemical Physics Studies(7), Advanced Physical and Chemical Molecular Interactions(5), Chemical Thermodynamics and Molecular Structure(5), Machine Learning in Materials Science(4)

Publications26 total

Approach to potential energy surfaces by neural networks. A review of recent work
International Journal of Quantum Chemistry·2009· 10 cited
Models for the adsorption and self‐assembly of ethanol and 1‐decanethiol on Au(111) surfaces. A comparative study by computer simulation
International Journal of Quantum Chemistry·2009
Mapping Potential Energy Surfaces by Neural Networks: The ethanol/Au(111) interface
Journal of Electroanalytical Chemistry·2008· 22 cited
Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation
International Journal of Quantum Chemistry·2007· 15 cited
A force field for simulating ethanol adsorption on Au(111) surfaces. A DFT study
International Journal of Quantum Chemistry·2007· 21 cited
Computer Simulation of Solution/Electrode Interfaces
Portugaliae electrochimica acta·2007Open Access
Erratum to “A time saving algorithm for the Monte Carlo method of Metropolis” [Computer Physics Communications 175 (2006) 116–121]
Computer Physics Communications·2006
A time saving algorithm for the Monte Carlo method of Metropolis
Computer Physics Communications·2006· 4 cited
A study of 1-decanethiol self-assembly on gold electrodes by computer simulation
Journal of Electroanalytical Chemistry·2004· 12 cited
Phase Diagram and Sublimation Enthalpies of Model C<sub>60</sub> Revisited
The Journal of Physical Chemistry B·2004· 11 cited
A Preliminary Study of Alkylthiols Self-Assembly on Gold Electrodes by Computer Simulation
SSRN Electronic Journal·2003· 2 citedOpen Access
Prediction of Chemical Reactivity by Articial Neural Networks
SSRN Electronic Journal·2003Open Access
Monte Carlo Simulation of a Supercritical Isotherm of Model C60
SSRN Electronic Journal·2003Open Access
Phase Diagrams and Sublimation Enthalpies of Model C<i><sub>n</sub></i><sub>⩾60</sub> Fullerenes:  A Comparative Study by Computer Simulation
The Journal of Physical Chemistry B·2002· 10 cited
Monte Carlo Simulation of the Phase Diagram of C<sub>60</sub> Using Two Interaction Potentials. Enthalpies of Sublimation
The Journal of Physical Chemistry B·2002· 19 cited
Erratum: Phase behavior of C<sub>60</sub> by computer simulation using ab‐initio interaction potential
International Journal of Quantum Chemistry·2002
The starting state in simulations of the fluid–solid coexistence by Gibbs–Duhem integration
Computer Physics Communications·2001· 8 cited
Phase behavior of C<sub>60</sub> by computer simulation using ab‐initio interaction potential
International Journal of Quantum Chemistry·2001· 5 cited
The hypervolume Monte Carlo method at constant pressure applied to liquid methyl chloride
Journal of Molecular Structure THEOCHEM·1999
Hypervolume Monte Carlo method at constant pressure
Computer Physics Communications·1997· 3 cited
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Frequent Co-authors

Fernando M. S. Silva Fernandes(25), Rui P. S. Fartaria(16), Diogo A. R. S. Latino(5), Pedro C. R. Rodrigues(4), João Aires‐de‐Sousa(3), Benedito J. Costa Cabral(3), Rodrigo S. Neves(2), João P. Prates Ramalho(1), Lídia M. P. C. Albuquerque(1), Fernando M. S. Silva(1)