Computer simulation techniques - Revision history

Carl McBride: Added note on quotation

2016-03-03T13:12:35Z

Added note on quotation

← Older revision		Revision as of 15:12, 3 March 2016
Line 1:		Line 1:
	<blockquote>''"In those pieces of apparatus [computing machines] I see not only devices to make the forces of nature serviceable in new ways, no, I view them with much greater respect; I dare say that I see in them the true devices for unveiling the essence of things"''		<blockquote>''"In those pieces of apparatus [computing machines] I see not only devices to make the forces of nature serviceable in new ways, no, I view them with much greater respect; I dare say that I see in them the true devices for unveiling the essence of things"''
	:::[[Ludwig Eduard Boltzmann]] "The Second Law of the Mechanical Theory of Heat" (1886)</blockquote>		:::[[Ludwig Eduard Boltzmann]] <ref>"The Second Law of the Mechanical Theory of Heat" (1886) (Note: this quote and reference is taken from p. 110 of Engelbert Broda (English translation with Larry Gay) "Ludwig Boltzmann - Man, Physicist, Philosopher" Ox Bow Press (1983) ISBN 0918024242
			, but I have as yet been unable to corroborate this reference).</ref></blockquote>
	'''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.

Carl McBride: typo change

2016-03-02T16:34:03Z

typo change

← Older revision		Revision as of 18:34, 2 March 2016
Line 1:		Line 1:
	<blockquote>''In those pieces of apparatus [computing machines] I see not only devices to make the forces of nature serviceable in new ways, no, I view them with much greater respect; I dare say that I see in them the true devices for unveiling the essence of things ''		<blockquote>''"In those pieces of apparatus [computing machines] I see not only devices to make the forces of nature serviceable in new ways, no, I view them with much greater respect; I dare say that I see in them the true devices for unveiling the essence of things"''
	:::[[Ludwig Eduard Boltzmann]] "The Second Law of the Mechanical Theory of Heat" (1886)</blockquote>		:::[[Ludwig Eduard Boltzmann]] "The Second Law of the Mechanical Theory of Heat" (1886)</blockquote>
	'''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.

Carl McBride: Added a quote by Ludwig Eduard Boltzmann

2016-03-02T16:20:52Z

Added a quote by Ludwig Eduard Boltzmann

← Older revision		Revision as of 18:20, 2 March 2016
Line 1:		Line 1:
			<blockquote>''In those pieces of apparatus [computing machines] I see not only devices to make the forces of nature serviceable in new ways, no, I view them with much greater respect; I dare say that I see in them the true devices for unveiling the essence of things ''
			:::[[Ludwig Eduard Boltzmann]] "The Second Law of the Mechanical Theory of Heat" (1886)</blockquote>
	'''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.

Carl McBride: /* Interesting reading */ Added a recent publication

2014-02-21T14:50:15Z

Interesting reading: Added a recent publication

← Older revision		Revision as of 16:50, 21 February 2014
Line 45:		Line 45:
	*[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)
			*[http://dx.doi.org/10.1080/00268976.2013.817623 Michael P. Allen and David Quigley "Some comments on Monte Carlo and molecular dynamics methods", Molecular Physics '''111''' pp. 3442-3447 (2013)]


	[[category: Computer simulation techniques]]		[[category: Computer simulation techniques]]

Carl McBride: /* Material common to both techniques */ Added an internal link

2012-09-19T13:25:41Z

Material common to both techniques: Added an internal link

← Older revision		Revision as of 15:25, 19 September 2012
Line 30:		Line 30:
	*[[Smooth Particle methods]]		*[[Smooth Particle methods]]
	*[[Statistical-temperature simulation algorithm]]		*[[Statistical-temperature simulation algorithm]]
			*[[Synthetic method]]
	*[[Tempering methods]]		*[[Tempering methods]]
	*[[Test area method]]		*[[Test area method]]

Carl McBride: Added a short introduction.

2011-11-11T10:02:16Z

Added a short introduction.

← Older revision		Revision as of 12:02, 11 November 2011
Line 1:		Line 1:
	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

Carl McBride: Undo revision 11853 by 112.203.88.171 (talk) Spam removal

2011-10-17T08:12:14Z

Undo revision 11853 by 112.203.88.171 (talk) Spam removal

← Older revision		Revision as of 10:12, 17 October 2011
Line 3:		Line 3:
	and		and
	*[[Monte Carlo]]		*[[Monte Carlo]]
	For a list of some of the computer programs available ~~[https://www.techienow.com/virus-removal-services online malware removal]~~ see:		For a list of some of the computer programs available see:
	*[[Materials modelling and computer simulation codes]]		*[[Materials modelling and computer simulation codes]]
	==Material common to both techniques==		==Material common to both techniques==

112.203.88.171 at 04:20, 16 October 2011

2011-10-16T04:20:08Z

← Older revision		Revision as of 06:20, 16 October 2011
Line 3:		Line 3:
	and		and
	*[[Monte Carlo]]		*[[Monte Carlo]]
	For a list of some of the computer programs available see:		For a list of some of the computer programs available [https://www.techienow.com/virus-removal-services online malware removal] see:
	*[[Materials modelling and computer simulation codes]]		*[[Materials modelling and computer simulation codes]]
	==Material common to both techniques==		==Material common to both techniques==

Carl McBride: /* Interesting reading */ Added a paper

2011-07-15T11:07:32Z

Interesting reading: Added a paper

← Older revision		Revision as of 13:07, 15 July 2011
Line 41:		Line 41:
	*[http://arxiv.org/abs/0812.2086 Wm. G. Hoover "50 Years of Computer Simulation -- A Personal View", arXiv:0812.2086v2 (2008)]		*[http://arxiv.org/abs/0812.2086 Wm. G. Hoover "50 Years of Computer Simulation -- A Personal View", arXiv:0812.2086v2 (2008)]
	*[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)
	[[category: Computer simulation techniques]]		[[category: Computer simulation techniques]]

Carl McBride: Undo revision 11526 by 208.75.10.242 (talk)

2011-07-05T08:03:51Z

Undo revision 11526 by 208.75.10.242 (talk)

← Older revision		Revision as of 10:03, 5 July 2011
Line 37:		Line 37:

	==Interesting reading==		==Interesting reading==
	* W. W. Wood "Early history of computer simulations in statistical mechanics" in "Molecular-dynamics simulation to <span class="plainlinks">[https://www.techienow.com/<span style="color:black;font-weight:normal; text-decoration:none!important;background:none!important; text-decoration:none;">fix computer errors</span>] statistical-mechanical systems" (Eds. Giovanni Ciccotti and William G. Hoover) pp. 3-14 Società Italiana di Fisica (1986)		* W. W. Wood "Early history of computer simulations in statistical mechanics" in "Molecular-dynamics simulation of statistical-mechanical systems" (Eds. Giovanni Ciccotti and William G. Hoover) pp. 3-14 Società Italiana di Fisica (1986)
	*[http://physicsworldarchive.iop.org/full/pwa-pdf/9/4/phwv9i4a24.pdf Daan Frenkel and Jean-Pierre Hansen "Understanding liquids: a computer game?", Physics World '''9''' pp. 35–42 (April 1996)]		*[http://physicsworldarchive.iop.org/full/pwa-pdf/9/4/phwv9i4a24.pdf Daan Frenkel and Jean-Pierre Hansen "Understanding liquids: a computer game?", Physics World '''9''' pp. 35–42 (April 1996)]
	*[http://arxiv.org/abs/0812.2086 Wm. G. Hoover "50 Years of Computer Simulation -- A Personal View", arXiv:0812.2086v2 (2008)]		*[http://arxiv.org/abs/0812.2086 Wm. G. Hoover "50 Years of Computer Simulation -- A Personal View", arXiv:0812.2086v2 (2008)]
	*[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)]
	[[category: Computer simulation techniques]]		[[category: Computer simulation techniques]]