• DocumentCode
    3583941
  • Title

    Notice of Retraction
    Artificial neural network potential energy surface for silver nanoparticles

  • Author

    Zhe Xu ; Lu, S. ; Jianbo Li ; Lichang Wang

  • Author_Institution
    Dept. of Syst. Sci. & Ind. Eng., State Univ. of New York at Binghamton, Binghamton, NY, USA
  • Volume
    3
  • fYear
    2010
  • Firstpage
    1586
  • Lastpage
    1589
  • Abstract
    Notice of Retraction

    After careful and considered review of the content of this paper by a duly constituted expert committee, this paper has been found to be in violation of IEEE´s Publication Principles.

    We hereby retract the content of this paper. Reasonable effort should be made to remove all past references to this paper.

    The presenting author of this paper has the option to appeal this decision by contacting TPII@ieee.org.

    A potential energy surface (PES) for describing the interactions among the atoms in Ag nanoparticles was derived using the feedforward artificial neural network (ANN) method. Based on the preliminary success of constructing ANN PESs using a small number of data sets for Pt, Au, and Ag clusters/nanoparticles, we studied here the accuracy of the ANN method to build the PES for Ag nanoparticles to be employed in molecular dynamics (MD) simulations by including more data sets obtained from density functional theory (DFT) calculations. In this work, more neurons were used to improve the fitting accuracy. The results demonstrated that the new fitting provides a more balanced result in terms of accuracy in training and testing with respect to the previously fitting, however, more asymptotic DFT data sets are required to construct a global ANN PES suitable for MD simulations on the formation of Ag nanoparticles.
  • Keywords
    chemistry computing; density functional theory; feedforward neural nets; molecular dynamics method; nanoparticles; potential energy surfaces; silver; Ag; Ag nanoparticle formation; atomic interaction; density functional theory calculation; feedforward artificial neural network; fitting accuracy; molecular dynamics simulation; potential energy surface; silver nanoparticles; Artificial neural networks; Feedforward neural networks; Fitting; Nanoparticles; Potential energy; Surface fitting; Training; artificial neural network; feedforward; modeling; potential energy surface; prediction; silver nanoparticle;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Natural Computation (ICNC), 2010 Sixth International Conference on
  • Print_ISBN
    978-1-4244-5958-2
  • Type

    conf

  • DOI
    10.1109/ICNC.2010.5583749
  • Filename
    5583749