Event-driven molecular dynamics - Revision history

193.55.29.171: Added a reference and link to sample code

2024-04-26T12:21:02Z

Added a reference and link to sample code

← Older revision		Revision as of 14:21, 26 April 2024
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	==External links==		==External links==
	*[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.10 HARD SPHERE MOLECULAR DYNAMICS PROGRAM] example code (in FORTRAN) from [http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)]		*[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.10 HARD SPHERE MOLECULAR DYNAMICS PROGRAM] example code (in FORTRAN) from [http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)]
			*[https://github.com/FSmallenburg/EDMD Github repository] with Event-driven molecular hard sphere code (in C) from [https://doi.org/10.1140/epje/s10189-022-00180-8 Frank Smallenburg, "Efficient event-driven simulations of hard spheres", European Physical Journal E '''45''', 22 (2022)]

	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Carl McBride: Removed stub template

2010-09-29T13:00:01Z

Removed stub template

← Older revision		Revision as of 15:00, 29 September 2010
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	~~{{Stub-general}}~~
	'''Event-driven molecular dynamics''' is often used to simulate [[Idealised models#'Hard' models \| hard]] or [[Idealised models#Piecewise continuous models \| piecewise continuous models]] (rather than the more familiar ''time-driven'' [[molecular dynamics]] used for [[Idealised models#'Soft' models \| soft models]]). An example of an ''event'' is a collision. One of the first examples of the use of such an algorithm was in the study of [[Hard disk model \| hard disks]] in 1959 <ref>[http://dx.doi.org/10.1063/1.1730376 B. J. Alder and T. E. Wainwright "Studies in Molecular Dynamics. I. General Method", Journal of Chemical Physics '''31''' pp. 459-466 (1959)]</ref>.		'''Event-driven molecular dynamics''' is often used to simulate [[Idealised models#'Hard' models \| hard]] or [[Idealised models#Piecewise continuous models \| piecewise continuous models]] (rather than the more familiar ''time-driven'' [[molecular dynamics]] used for [[Idealised models#'Soft' models \| soft models]]). An example of an ''event'' is a collision. One of the first examples of the use of such an algorithm was in the study of [[Hard disk model \| hard disks]] in 1959 <ref>[http://dx.doi.org/10.1063/1.1730376 B. J. Alder and T. E. Wainwright "Studies in Molecular Dynamics. I. General Method", Journal of Chemical Physics '''31''' pp. 459-466 (1959)]</ref>.
	The application of event-driven molecular dynamics to non-circular/spherical particles is substantially more challenging <ref>[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]</ref>		The application of event-driven molecular dynamics to non-circular/spherical particles is substantially more challenging <ref>[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]</ref>

Carl McBride: Added an external links section

2010-09-29T12:39:15Z

Added an external links section

← Older revision		Revision as of 14:39, 29 September 2010
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	*[http://dx.doi.org/10.1063/1.3486567 Marcus N. Bannerman and Leo Lue "Exact on-event expressions for discrete potential systems", Journal of Chemical Physics '''133''' 124506 (2010)]		*[http://dx.doi.org/10.1063/1.3486567 Marcus N. Bannerman and Leo Lue "Exact on-event expressions for discrete potential systems", Journal of Chemical Physics '''133''' 124506 (2010)]
	*[http://dx.doi.org/10.1007/3-540-27720-X Thorsten Pöschel and Thomas Schwager "Computational Granular Dynamics: Models and Algorithms", Springer Berlin Heidelberg (2005)] Chapter 3 pp. 135-189		*[http://dx.doi.org/10.1007/3-540-27720-X Thorsten Pöschel and Thomas Schwager "Computational Granular Dynamics: Models and Algorithms", Springer Berlin Heidelberg (2005)] Chapter 3 pp. 135-189
			==External links==
			*[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.10 HARD SPHERE MOLECULAR DYNAMICS PROGRAM] example code (in FORTRAN) from [http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)]

	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Carl McBride: /* See also */

2010-09-28T14:17:44Z

Carl McBride: Started an introduction

2010-09-28T13:07:21Z

Started an introduction

← Older revision		Revision as of 15:07, 28 September 2010
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	{{Stub-general}}		{{Stub-general}}
	'''Event-driven molecular dynamics'''		'''Event-driven molecular dynamics''' is often used to simulate [[Idealised models#'Hard' models \| hard]] or [[Idealised models#Piecewise continuous models \| piecewise continuous models]] (rather than the more familiar ''time-driven'' [[molecular dynamics]] used for [[Idealised models#'Soft' models \| soft models]]). An example of an ''event'' is a collision. One of the first examples of the use of such an algorithm was in the study of [[Hard disk model \| hard disks]] in 1959 <ref>[http://dx.doi.org/10.1063/1.1730376 B. J. Alder and T. E. Wainwright "Studies in Molecular Dynamics. I. General Method", Journal of Chemical Physics '''31''' pp. 459-466 (1959)]</ref>.
			The application of event-driven molecular dynamics to non-circular/spherical particles is substantially more challenging <ref>[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]</ref>
	==See also==		==See also==
	*[[DYNAMO]]		*[[DYNAMO]]
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	<references/>		<references/>
	'''Related reading'''		'''Related reading'''
	*[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]
	*[http://dx.doi.org/10.1016/j.jcp.2004.08.025 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.: II. Applications to ellipses and ellipsoids", Journal of Computational Physics '''202''' pp. 765-793 (2005)]		*[http://dx.doi.org/10.1016/j.jcp.2004.08.025 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.: II. Applications to ellipses and ellipsoids", Journal of Computational Physics '''202''' pp. 765-793 (2005)]
	*[http://dx.doi.org/10.1063/1.3486567 Marcus N. Bannerman and Leo Lue "Exact on-event expressions for discrete potential systems", Journal of Chemical Physics '''133''' 124506 (2010)]		*[http://dx.doi.org/10.1063/1.3486567 Marcus N. Bannerman and Leo Lue "Exact on-event expressions for discrete potential systems", Journal of Chemical Physics '''133''' 124506 (2010)]
	*[http://dx.doi.org/10.1007/3-540-27720-X Thorsten Pöschel and Thomas Schwager "Computational Granular Dynamics: Models and Algorithms", Springer Berlin Heidelberg (2005)] Chapter 3 pp. 135-189		*[http://dx.doi.org/10.1007/3-540-27720-X Thorsten Pöschel and Thomas Schwager "Computational Granular Dynamics: Models and Algorithms", Springer Berlin Heidelberg (2005)] Chapter 3 pp. 135-189
	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Carl McBride at 10:05, 28 September 2010

2010-09-28T10:05:35Z

← Older revision		Revision as of 12:05, 28 September 2010
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	{{Stub-general}}		{{Stub-general}}
			'''Event-driven molecular dynamics'''
			==See also==
			*[[DYNAMO]]
	==References==		==References==
	#[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]		<references/>
	#[http://dx.doi.org/10.1016/j.jcp.2004.08.025 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.: II. Applications to ellipses and ellipsoids", Journal of Computational Physics '''202''' pp. 765-793 (2005)]		'''Related reading'''
			*[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]
			*[http://dx.doi.org/10.1016/j.jcp.2004.08.025 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.: II. Applications to ellipses and ellipsoids", Journal of Computational Physics '''202''' pp. 765-793 (2005)]
			*[http://dx.doi.org/10.1063/1.3486567 Marcus N. Bannerman and Leo Lue "Exact on-event expressions for discrete potential systems", Journal of Chemical Physics '''133''' 124506 (2010)]
			*[http://dx.doi.org/10.1007/3-540-27720-X Thorsten Pöschel and Thomas Schwager "Computational Granular Dynamics: Models and Algorithms", Springer Berlin Heidelberg (2005)] Chapter 3 pp. 135-189
	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Nice and Tidy at 10:39, 27 September 2007

2007-09-27T10:39:13Z

← Older revision		Revision as of 12:39, 27 September 2007
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			{{Stub-general}}
	==References==		==References==
	#[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]		#[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]
	#[http://dx.doi.org/10.1016/j.jcp.2004.08.025 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.: II. Applications to ellipses and ellipsoids", Journal of Computational Physics '''202''' pp. 765-793 (2005)]		#[http://dx.doi.org/10.1016/j.jcp.2004.08.025 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.: II. Applications to ellipses and ellipsoids", Journal of Computational Physics '''202''' pp. 765-793 (2005)]
	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Carl McBride: New page: ==References== #[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for...

2007-05-23T09:06:58Z

New page: ==References== #[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for...

New page

==References==
#[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]
#[http://dx.doi.org/10.1016/j.jcp.2004.08.025 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.: II. Applications to ellipses and ellipsoids", Journal of Computational Physics '''202''' pp. 765-793 (2005)]
[[category:molecular dynamics]]

← Older revision		Revision as of 16:17, 28 September 2010
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	The application of event-driven molecular dynamics to non-circular/spherical particles is substantially more challenging <ref>[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]</ref>		The application of event-driven molecular dynamics to non-circular/spherical particles is substantially more challenging <ref>[http://dx.doi.org/10.1016/j.jcp.2004.08.014 Aleksandar Donev, Salvatore Torquato and Frank H. Stillinger "Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details", Journal of Computational Physics '''202''' pp. 737-764 (2005)]</ref>
	==See also==		==See also==
	*[[DYNAMO]]		*[[DYNAMO]] an open-source event-driven simulation code written by [http://www.marcusbannerman.co.uk/index.php/home.html Dr. Marcus Bannerman]

	==References==		==References==
	<references/>		<references/>