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'''Mass-stat''' | {{stub-general}} | ||
A '''Mass-stat''' can be used to introduce or remove particles during a [[molecular dynamics]] calculation. | |||
*[[ | ==USHER mass-stat== | ||
<ref>[http://dx.doi.org/10.1063/1.1579475 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)]</ref><ref>[http://dx.doi.org/10.1063/1.1835957 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)]</ref> | |||
==FADE mass-stat== | |||
<ref>[http://dx.doi.org/10.1063/1.4865337 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)]</ref> | |||
==See also== | |||
*[[Grand canonical Monte Carlo]] | |||
==References== | |||
<references/> | |||
[[category: Molecular dynamics]] | [[category: Molecular dynamics]] | ||
Revision as of 16:18, 1 April 2014
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A Mass-stat can be used to introduce or remove particles during a molecular dynamics calculation.
USHER mass-stat
FADE mass-stat
See also
References
- ↑ 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)