Basin-hopping Monte Carlo: Difference between revisions
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'''Basin-hopping Monte Carlo''' is a technique used locate global minima on a potential energy surface. | '''Basin-hopping Monte Carlo''' <ref>[http://www.pnas.org/content/84/19/6611.abstract Z. Li and H. A. Scheraga "Monte Carlo-minimization approach to the multiple-minima problem in protein folding", PNAS '''84''' pp. 6611-6615 (1987)]</ref> | ||
<ref>[http://dx.doi.org/10.1021/jp970984n David J. Wales and Jonathan P. K. Doye "Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms", Journal of Physical Chemistry '''101''' pp. 5111-5116 (1997)]</ref> | |||
is a technique used locate global minima on a potential energy surface. | |||
==References== | ==References== | ||
<references/> | <references/> | ||
'''Related reading''' | '''Related reading''' | ||
*[http://dx.doi.org/10.1039/a709249k Jonathan P. K. Doye and David J. Wales "Global minima for transition metal clusters described by Sutton–Chen potentials", New Journal of Chemistry '''22''' pp. 733-744 (1998)] | *[http://dx.doi.org/10.1039/a709249k Jonathan P. K. Doye and David J. Wales "Global minima for transition metal clusters described by Sutton–Chen potentials", New Journal of Chemistry '''22''' pp. 733-744 (1998)] | ||
*[http://dx.doi.org/10.1063/1.4893344 C. Shang and D. J. Wales "Communication: Optimal parameters for basin-hopping global optimization based on Tsallis statistics", Journal of Chemical Physics '''141''' 071101 (2014)] | |||
==External links== | ==External links== | ||
*[http://www-wales.ch.cam.ac.uk/GMIN/ GMIN: A program for finding global minima and calculating thermodynamic properties from basin-sampling] | *[http://www-wales.ch.cam.ac.uk/GMIN/ GMIN: A program for finding global minima and calculating thermodynamic properties from basin-sampling] | ||
[[category: computer simulation techniques]] | [[category: computer simulation techniques]] | ||
[[category: Monte Carlo]] | [[category: Monte Carlo]] | ||
Latest revision as of 10:39, 26 September 2014
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Basin-hopping Monte Carlo [1] [2] is a technique used locate global minima on a potential energy surface.
References[edit]
- ↑ Z. Li and H. A. Scheraga "Monte Carlo-minimization approach to the multiple-minima problem in protein folding", PNAS 84 pp. 6611-6615 (1987)
- ↑ David J. Wales and Jonathan P. K. Doye "Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms", Journal of Physical Chemistry 101 pp. 5111-5116 (1997)
Related reading
- Jonathan P. K. Doye and David J. Wales "Global minima for transition metal clusters described by Sutton–Chen potentials", New Journal of Chemistry 22 pp. 733-744 (1998)
- C. Shang and D. J. Wales "Communication: Optimal parameters for basin-hopping global optimization based on Tsallis statistics", Journal of Chemical Physics 141 071101 (2014)