Editing Computer simulation techniques
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'''Computer simulations''' are used to obtain quantitative results, under various thermodynamic conditions, for [[realistic models]] which are parametrised to study a specific atomic or molecular system with a certain degree of realism, or [[force fields]], which consist of transferable parameters for molecular sub-units, usually at the atomistic level. Force fields are designed to be applicable to a variety of molecular systems, in particular for flexible molecules. Computer simulations are also used to perform "computer experiments" on [[idealised models]] in order to test theories with a view to arriving at a better understanding of the underlying physics of a system. | '''Computer simulations''' are used to obtain quantitative results, under various thermodynamic conditions, for [[realistic models]] which are parametrised to study a specific atomic or molecular system with a certain degree of realism, or [[force fields]], which consist of transferable parameters for molecular sub-units, usually at the atomistic level. Force fields are designed to be applicable to a variety of molecular systems, in particular for flexible molecules. Computer simulations are also used to perform "computer experiments" on [[idealised models]] in order to test theories with a view to arriving at a better understanding of the underlying physics of a system. | ||
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*[[Smooth Particle methods]] | *[[Smooth Particle methods]] | ||
*[[Statistical-temperature simulation algorithm]] | *[[Statistical-temperature simulation algorithm]] | ||
*[[Tempering methods]] | *[[Tempering methods]] | ||
*[[Test area method]] | *[[Test area method]] | ||
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*[http://dx.doi.org/10.1063/1.476021 Wilfred F. van Gunsteren, and Alan E. Mark "Validation of molecular dynamics simulation", Journal of Chemical Physics '''108''' pp. 6109-6116 (1998)] | *[http://dx.doi.org/10.1063/1.476021 Wilfred F. van Gunsteren, and Alan E. Mark "Validation of molecular dynamics simulation", Journal of Chemical Physics '''108''' pp. 6109-6116 (1998)] | ||
*Richard P. Feynman "Simulating Physics With Computers", International Journal of Theoretical Physics '''21''' pp. 467-488 (1982) | *Richard P. Feynman "Simulating Physics With Computers", International Journal of Theoretical Physics '''21''' pp. 467-488 (1982) | ||
[[category: Computer simulation techniques]] | [[category: Computer simulation techniques]] |