From owner-chemistry@ccl.net Fri Nov 15 10:30:00 2013
From: "Renier Dreyer renier.dreyer*crunchyard.com" <owner-chemistry|,|server.ccl.net>
To: CCL
Subject: CCL: CPMD on CrunchYard
Message-Id: <-49343-131115041414-3757-aeTrdN+rTgqQuOSQkFX43w|,|server.ccl.net>
X-Original-From: "Renier  Dreyer" <renier.dreyer===crunchyard.com>
Date: Fri, 15 Nov 2013 04:14:13 -0500


Sent to CCL by: "Renier  Dreyer" [renier.dreyer===crunchyard.com]
The online simulation platform, CrunchYard, has made CPMD available to users.

The CPMD code is a plane wave/pseudopotential implementation of Density 
Functional Theory, particularly designed for ab-initio molecular dynamics. Its 
first version  was developed by Jurg Hutter at IBM Zurich Research Laboratory 
starting from the original Car-Parrinello codes.
The current version, 3.17, is copyrighted jointly by IBM Corp and by Max Planck 
Institute, Stuttgart, and is distributed free of charge to non-profit 
organizations.
Profit organizations interested at the code should contact CPMD.

To start using CPMD on CrunchYard, create and account at www.cpmd.org and agree 
to the terms and conditions. Register an account at www.crunchyard.com or 
contact Dr Renier Dreyer at +27 (0)11 717 6379 and request CPMD access on the 
HPC facility.


From owner-chemistry@ccl.net Fri Nov 15 13:28:01 2013
From: "Egbert Zojer egbert.zojer-*-tugraz.at" <owner-chemistry[*]server.ccl.net>
To: CCL
Subject: CCL: Symposium on the Computational Modeling of Organic Semiconductors
Message-Id: <-49344-131115131656-31880-ae/6tO0PX5kVwkFNoljqxg[*]server.ccl.net>
X-Original-From: "Egbert  Zojer" <egbert.zojer__tugraz.at>
Date: Fri, 15 Nov 2013 13:16:54 -0500


Sent to CCL by: "Egbert  Zojer" [egbert.zojer]![tugraz.at]
Dear collagues,

At next year's E-MRS spring meeting, we will organize a symposium on the

"Computational modelling of organic semiconductors: from the quantum world to actual devices".

For mor information please see the E-MRS homepage:
http://www.european-mrs.com/

or

http://www.emrs-strasbourg.com/index.php?option=com_content&task=view&id=691&Itemid=1

Best regards,

Georg Heimel, Leeor Kronik, and Egbert Zojer

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Ao. Univ.-Prof. DI Dr. Egbert Zojer
Institute of Solid State Physics, Graz University of Technology
Petersgasse 16, 8010 Graz, AUSTRIA
Tel.: ++43/316/873-8475 Fax.: -108475
egbert.zojer**tugraz.at ;  http://www.if.tugraz.at/
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