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
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