Computer simulation techniques

From SklogWiki
Revision as of 14:25, 19 September 2012 by Carl McBride (talk | contribs) (→‎Material common to both techniques: Added an internal link)
Jump to navigation Jump to search

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.

The two predominant computer simulation techniques used in the study of soft condensed matter are:

and

For a list of some of the computer programs available see:

Material common to both techniques

Interesting reading