Umbrella sampling: Difference between revisions
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Carl McBride (talk | contribs) (New page: {{Stub-general}} '''Umbrella sampling''' is a Monte Carlo technique for estimation of the Helmholtz energy function. ==Non-equilibrium processes== *[http://dx.doi.org/10.1063/1.278...) |
Carl McBride (talk | contribs) m (Added a reference.) |
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'''Umbrella sampling''' is a [[Monte Carlo]] technique for estimation of the [[Helmholtz energy function]]. | '''Umbrella sampling''' <ref>[http://dx.doi.org/10.1016/0009-2614(74)80109-0 Glenn M. Torrie and John P. Valleau "Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid", Chemical Physics Letters '''28''' pp. 578-581 (1974)]</ref> | ||
<ref>[http://dx.doi.org/10.1016/0021-9991(77)90121-8 G. M. Torrie and J. P. Valleau "Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling", Journal of Computational Physics '''23''' pp. 187-199 (1977)] </ref>is a [[Monte Carlo]] technique for estimation of the [[Helmholtz energy function]]. | |||
==Non-equilibrium processes== | ==Non-equilibrium processes== | ||
*[http://dx.doi.org/10.1063/1.2784118 Aryeh Warmflash, Prabhakar Bhimalapuram, and Aaron R. Dinner "Umbrella sampling for nonequilibrium processes", Journal of Chemical Physics '''127''' 154112 (2007)] | *[http://dx.doi.org/10.1063/1.2784118 Aryeh Warmflash, Prabhakar Bhimalapuram, and Aaron R. Dinner "Umbrella sampling for nonequilibrium processes", Journal of Chemical Physics '''127''' 154112 (2007)] | ||
==References== | ==References== | ||
<references/> | |||
'''Related reading''' | |||
*[http://dx.doi.org/10.1063/1.1739216 Peter Virnau and Marcus Müller "Calculation of free energy through successive umbrella sampling", Journal of Chemical Physics '''120''' 10925 (2004)] | |||
[[category: computer simulation techniques]] | [[category: computer simulation techniques]] | ||
Revision as of 17:31, 28 September 2009
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Umbrella sampling [1] [2]is a Monte Carlo technique for estimation of the Helmholtz energy function.
Non-equilibrium processes
References
- ↑ Glenn M. Torrie and John P. Valleau "Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid", Chemical Physics Letters 28 pp. 578-581 (1974)
- ↑ G. M. Torrie and J. P. Valleau "Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling", Journal of Computational Physics 23 pp. 187-199 (1977)
Related reading