• Title of article

    A reference implementation of the adaptive resolution scheme in ESPResSo Original Research Article

  • Author/Authors

    Christoph Junghans، نويسنده , , Sim?n Poblete، نويسنده ,

  • Issue Information
    ماهنامه با شماره پیاپی سال 2010
  • Pages
    6
  • From page
    1449
  • To page
    1454
  • Abstract
    We review the adaptive resolution scheme (AdResS) from a technical perspective and collect arguments from several years of research, which culminates into the implementation of AdResS into the open-source package ESPResSo. This flexible implementation allows us to repeat all previous AdResS simulations with one program. We test this reference implementation and resimulate some results of the well-studied tetrahedral fluid from various previous studies to show the functionality of the package.
  • Keywords
    molecular dynamics , Scale bridging , Multiscale
  • Journal title
    Computer Physics Communications
  • Serial Year
    2010
  • Journal title
    Computer Physics Communications
  • Record number

    1137999