Models: Difference between revisions
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==Interesting reading== | ==Interesting reading== | ||
*[http://dx.doi.org/10.1126/science.157.3787.375 B. Widom "Intermolecular Forces and the Nature of the Liquid State: Liquids reflect in their bulk properties the attractions and repulsions of their constituent molecules", Science '''157''' pp. 375-382 (1967)] | *[http://dx.doi.org/10.1126/science.157.3787.375 B. Widom "Intermolecular Forces and the Nature of the Liquid State: Liquids reflect in their bulk properties the attractions and repulsions of their constituent molecules", Science '''157''' pp. 375-382 (1967)] | ||
[[category:Computer simulation techniques]] | [[category:Computer simulation techniques]] | ||
Revision as of 11:42, 4 July 2008
Idealised models usually consist of a simple intermolecular pair potential, whose purpose is often to study underlying physical phenomena.
Realistic models are usually designed to study a specific atomic or molecular system with a certain degree of realism.
Force fields consist of, hopefully transferable, parameters for molecular sub-units. They are designed to be applicable to a variety of molecular systems, over a range of conditions.