MCCCS Towhee - Revision history

131.188.6.210 at 01:35, 18 November 2021

2021-11-18T01:35:01Z

← Older revision		Revision as of 03:35, 18 November 2021
Line 1:		Line 1:
	[http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases. The project is currently mantained by Marcus G. Martin~~, at Sandia National Lab~~.		[http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases. The project is currently mantained by Marcus G. Martin.

	===External links===		===External links===
	*[http://towhee.sourceforge.net/ MCCS Towhee web site at sourceforge]		*[http://towhee.sourceforge.net/ MCCS Towhee web site at sourceforge]
	[[Category: Materials modelling and computer simulation codes]]		[[Category: Materials modelling and computer simulation codes]]

Dduque at 12:01, 7 November 2007

2007-11-07T12:01:37Z

← Older revision		Revision as of 14:01, 7 November 2007
Line 1:		Line 1:
	[http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases.		[http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases. The project is currently mantained by Marcus G. Martin, at Sandia National Lab.

			===External links===
			*[http://towhee.sourceforge.net/ MCCS Towhee web site at sourceforge]
	[[Category: Materials modelling and computer simulation codes]]		[[Category: Materials modelling and computer simulation codes]]

Nice and Tidy at 17:57, 30 October 2007

2007-10-30T17:57:55Z

← Older revision		Revision as of 19:57, 30 October 2007
Line 1:		Line 1:
	[http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases.		[http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases.

	[[Category: Materials ~~modeling~~ and ~~Computer~~ simulation codes]]		[[Category: Materials modelling and computer simulation codes]]

Carl McBride: New page: [http://towhee.sourceforge.net/ MCCCS Towhee] is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force field...

2007-06-12T09:31:23Z

New page: [http://towhee.sourceforge.net/ MCCCS Towhee] is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force field...

New page

[http://towhee.sourceforge.net/ MCCCS Towhee] is a [[Monte Carlo]] molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based [[force fields]] and the [[Gibbs ensemble]] with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases.

[[Category: Materials modeling and Computer simulation codes]]