From owner-chemistry@ccl.net Fri Dec  9 04:41:00 2011
From: "sofi mimi takan wafaab2=yahoo.fr" <owner-chemistry- -server.ccl.net>
To: CCL
Subject: CCL: MC simulation
Message-Id: <-46015-111209043906-31521-3r3KwIhMrNa76QU7agVLTA- -server.ccl.net>
X-Original-From: "sofi mimi takan" <wafaab2]=[yahoo.fr>
Date: Fri, 9 Dec 2011 04:39:04 -0500


Sent to CCL by: "sofi mimi takan" [wafaab2^^^yahoo.fr]
Dear Sir,

I am interested to Monte Carlo Simulation and i wish to understand it before i can start working on it. I am now studying the effect of several solvent molecules on an organic reaction. In this regard, does anyone can point me to the tutorials on various kinds of MC simulation available  and theoretical background. 


Best regards,


From owner-chemistry@ccl.net Fri Dec  9 07:59:00 2011
From: "Gkourmpis, Thomas Thomas.Gkourmpis~~borealisgroup.com" <owner-chemistry~~server.ccl.net>
To: CCL
Subject: CCL: MC simulation
Message-Id: <-46016-111209062816-14038-SPus8hWK/kqeYFDR1IAFuw~~server.ccl.net>
X-Original-From: "Gkourmpis, Thomas" <Thomas.Gkourmpis|,|borealisgroup.com>
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Date: Fri, 9 Dec 2011 12:28:05 +0100
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Sent to CCL by: "Gkourmpis, Thomas" [Thomas.Gkourmpis*|*borealisgroup.com]
There is an abundance of tutorials and relevant literature in MC methods on the web, so the ones I am recommending are not exclusive. Have a look at them and hopefully you can get yourself started.

http://www2.fz-juelich.de/nic-series/volume23/frenkel.pdf
Allen, M.P. and Tildesley, D.J. (1987). Computer Simulation of Liquids. Oxford University Press
Frenkel, D. and Smit, B. (2001). Understanding Molecular Simulation. Academic Press
Binder, K. and Heermann, D.W. (2002). Monte Carlo Simulation in Statistical Physics. An Introduction (4th edition). Springer

All the best
Thomas

-----Original Message-----
> From: owner-chemistry+thomas.gkourmpis==borealisgroup.com:-:ccl.net [mailto:owner-chemistry+thomas.gkourmpis==borealisgroup.com:-:ccl.net] On Behalf Of sofi mimi takan wafaab2=yahoo.fr
Sent: Friday, December 09, 2011 10:39 AM
To: Gkourmpis, Thomas
Subject: CCL: MC simulation


Sent to CCL by: "sofi mimi takan" [wafaab2^^^yahoo.fr]
Dear Sir,

I am interested to Monte Carlo Simulation and i wish to understand it before i can start working on it. I am now studying the effect of several solvent molecules on an organic reaction. In this regard, does anyone can point me to the tutorials on various kinds of MC simulation available  and theoretical background. 


Best regards,http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txtThis Email and any files transmitted with it are confidential and
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From owner-chemistry@ccl.net Fri Dec  9 08:34:00 2011
From: "sofi mimi takan katan42004/./yahoo.fr" <owner-chemistry(_)server.ccl.net>
To: CCL
Subject: CCL: MC simulation
Message-Id: <-46017-111209043716-23712-Ly2wGsETIRVEQ65vxdGksw(_)server.ccl.net>
X-Original-From: "sofi mimi takan" <katan42004\a/yahoo.fr>
Date: Fri, 9 Dec 2011 04:37:15 -0500


Sent to CCL by: "sofi mimi takan" [katan42004,,yahoo.fr]
Dear Sir,

I am interested to Monte Carlo Simulation and i wish to understand it before i can start working on it. I am now studying the effect of several solvent molecules on an organic reaction. In this regard, does anyone can point me to the tutorials on various kinds of MC simulation available  and theoretical background. 


Best regards,


From owner-chemistry@ccl.net Fri Dec  9 12:50:00 2011
From: "sofi mimi takan wafaab2*yahoo.fr" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL: MC simulation
Message-Id: <-46018-111209124809-8963-1ohQo01JTmYhSHkHdbE9Zw=server.ccl.net>
X-Original-From: "sofi mimi takan" <wafaab2-,-yahoo.fr>
Date: Fri, 9 Dec 2011 12:48:07 -0500


Sent to CCL by: "sofi mimi takan" [wafaab2%%yahoo.fr]
Many thanks Pr. Thomas for the response.

I want download a free program that runs on windows. This program whose is a general purpose molecular modeling system that performs Metropolis Monte Carlo (MC) statistical mechanics simulations. The MC simulations can be carried out for effects of solvation on relative energies of conformers, changes in free energies of solvation along reaction paths, and structures.

Best regards,