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
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
Journal title :
Computer Physics Communications