Computer simulation techniques: Difference between revisions

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The two predominant '''computer simulation techniques''' used in the study of soft condensed matter are:  
'''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:  
*[[Molecular dynamics]]
*[[Molecular dynamics]]
and
and

Revision as of 11:02, 11 November 2011

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