Mass-stat
Jump to navigation
Jump to search
|
This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page. |
A mass-stat can be used to introduce or remove particles during a molecular dynamics calculation, which is particularly useful for simulations in the grand canonical ensemble.
USHER mass-stat[edit]
FADE mass-stat[edit]
See also[edit]
References[edit]
- ↑ Rafael Delgado-Buscalioni and Peter V. Coveney "USHER: An algorithm for particle insertion in dense fluids", Journal of Chemical Physics 119 pp. 978-987 (2003)
- ↑ Gianni De Fabritiis, Rafael Delgado-Buscalioni and Peter V. Coveney "Energy controlled insertion of polar molecules in dense fluids", Journal of Chemical Physics 121 12139 (2004)
- ↑ Matthew K. Borg, Duncan A. Lockerby and Jason M. Reese "The FADE mass-stat: A technique for inserting or deleting particles in molecular dynamics simulations", Journal of Chemical Physics 140 074110 (2014)