Molecular dynamics - Revision history

Carl McBride: corrected link

2017-03-13T16:38:54Z

corrected link

← Older revision		Revision as of 18:38, 13 March 2017
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	*[[Barostats]]		*[[Barostats]]
	*[[Beeman's algorithm]]		*[[Beeman's algorithm]]
	*[[Blue moon ensemble]]		*[[Blue-moon ensemble]]
	*[[Car-Parrinello technique]]		*[[Car-Parrinello technique]]
	*[[Charge equilibration for molecular dynamics simulations \| Charge equilibration]]		*[[Charge equilibration for molecular dynamics simulations \| Charge equilibration]]

2017-03-13T16:35:30Z

Added an internal link

← Older revision		Revision as of 18:35, 13 March 2017
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	*[[Barostats]]		*[[Barostats]]
	*[[Beeman's algorithm]]		*[[Beeman's algorithm]]
			*[[Blue moon ensemble]]
	*[[Car-Parrinello technique]]		*[[Car-Parrinello technique]]
	*[[Charge equilibration for molecular dynamics simulations \| Charge equilibration]]		*[[Charge equilibration for molecular dynamics simulations \| Charge equilibration]]

2015-10-01T12:13:38Z

Added an internal link

← Older revision		Revision as of 14:13, 1 October 2015
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	*[[Flying ice cube]]		*[[Flying ice cube]]
	*[[GWTS algorithm]]		*[[GWTS algorithm]]
			*[[Heat exchange algorithm]]
	*[[Initial configuration]]		*[[Initial configuration]]
	*[[Integrators for molecular dynamics]]		*[[Integrators for molecular dynamics]]

2015-09-22T16:42:15Z

Added an internal link

← Older revision		Revision as of 18:42, 22 September 2015
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	*[[Milestoning]]		*[[Milestoning]]
	*[[Multi-particle collision dynamics]]		*[[Multi-particle collision dynamics]]
			*[[Multi-scale shock technique]]
	*[[Non-equilibrium molecular dynamics]] (NEMD)		*[[Non-equilibrium molecular dynamics]] (NEMD)
	*[[Polarizable point dipoles]]		*[[Polarizable point dipoles]]

2015-04-16T11:58:26Z

Added an internal link

← Older revision		Revision as of 13:58, 16 April 2015
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	*[[Car-Parrinello technique]]		*[[Car-Parrinello technique]]
	*[[Charge equilibration for molecular dynamics simulations \| Charge equilibration]]		*[[Charge equilibration for molecular dynamics simulations \| Charge equilibration]]
			*[[Constant chemical potential molecular dynamics (CμMD)]]
	*[[Constraints (molecular dynamics) \| Constraints]]		*[[Constraints (molecular dynamics) \| Constraints]]
	*[[Event-driven molecular dynamics]]		*[[Event-driven molecular dynamics]]

2014-02-28T17:23:55Z

Added an internal link to Mass-stat

← Older revision		Revision as of 19:23, 28 February 2014
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	*[[Integrators for molecular dynamics]]		*[[Integrators for molecular dynamics]]
	*[[Liouville-von Neumann molecular dynamics]]		*[[Liouville-von Neumann molecular dynamics]]
			*[[Mass-stat]]
	*[[Materials modelling and computer simulation codes]]		*[[Materials modelling and computer simulation codes]]
	*[[Milestoning]]		*[[Milestoning]]

2014-02-21T16:09:27Z

Moved the Constraints to their own page

← Older revision		Revision as of 18:09, 21 February 2014
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	*[[Car-Parrinello technique]]		*[[Car-Parrinello technique]]
	*[[Charge equilibration for molecular dynamics simulations \| Charge equilibration]]		*[[Charge equilibration for molecular dynamics simulations \| Charge equilibration]]
	*Constraints:		*[[Constraints (molecular dynamics) \| Constraints]]
	**[[~~LINCS]]~~
	**[[RATTLE]]
	**[[SETTLE]]
	**[[SHAKE]]
	***[[M-SHAKE]]
	***[[P-SHAKE]]
	***[[Q-SHAKE]]
	***[[RD-SHAKE]]
	**[[WIGGLE]]
	*[[Event-driven molecular dynamics]]		*[[Event-driven molecular dynamics]]
	*[[Flying ice cube]]		*[[Flying ice cube]]

2012-06-19T09:57:10Z

Updated internal link

← Older revision		Revision as of 11:57, 19 June 2012
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	*[[Non-equilibrium molecular dynamics]] (NEMD)		*[[Non-equilibrium molecular dynamics]] (NEMD)
	*[[Polarizable point dipoles]]		*[[Polarizable point dipoles]]
	*[[Rigid bodies]]		*[[Molecular dynamics of rigid bodies \| Rigid bodies]]
	*[[Thermostats]]		*[[Thermostats]]
	*[[Time step]]		*[[Time step]]

2011-06-09T15:38:32Z

Started an introduction

← Older revision		Revision as of 17:38, 9 June 2011
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			'''Molecular dynamics''' is a deterministic technique, proposed by [[Berni J. Alder \|Alder]] and Wainwright 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>, used to create trajectories for atoms and molecules.
	*[[Ab initio molecular dynamics]]		*[[Ab initio molecular dynamics]]
	*[[Barostats]]		*[[Barostats]]
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	*[[Verlet leap-frog algorithm]]		*[[Verlet leap-frog algorithm]]
	*[[Virial pressure]]		*[[Virial pressure]]
			==References==
			<references/>
	==General reading==		==General reading==
	*[http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)] Chapter 3.		*[http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)] Chapter 3.

2010-12-16T13:14:17Z

Added an internal link

← Older revision		Revision as of 15:14, 16 December 2010
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	*[[Multi-particle collision dynamics]]		*[[Multi-particle collision dynamics]]
	*[[Non-equilibrium molecular dynamics]] (NEMD)		*[[Non-equilibrium molecular dynamics]] (NEMD)
			*[[Polarizable point dipoles]]
	*[[Rigid bodies]]		*[[Rigid bodies]]
	*[[Thermostats]]		*[[Thermostats]]