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Up Directory CCL 14.08.09 Workshop in Conjunction with ACS National Meeting in California on Use of Q-Chem 4.2
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Thu Jun 19 18:02:19 2014
Subject: 14.08.09 Workshop in Conjunction with ACS National Meeting in California on Use of Q-Chem 4.2
Dear Colleague,

Q-Chem would like to invite you to a user workshop in conjunction
with the 248th American Chemical Society National Meeting to be 
held at Berkeley, California.  The workshop will be held from 10:30 
a.m. - 6:00 p.m. on Saturday, August 9, 2014.

Q-Chem is a comprehensive ab initio package and Q-Chem 4.2 
release includes the latest theoretical/computational advances from 
Q-Chem's over 150 developers.  

At the workshop, we will give an overview of the Q-Chem software 
package, especially those new features from the latest 4.2 release, 
and will provide hands-on tutorials of how to use the Q-Chem 
Program.  We will highlight:

- density functional theory (DFT) and wave function theory 
(especially perturbation theory and coupled-cluster methods) for 
ground and excited-states;

- new tools for studying chemical reactions;

- application of quantum chemistry methods in energy and 
materials research;

- energy decomposition analysis;

- QM/MM calculations;

and the IQmol user graphic interface, which is fully integrated with 
Q-Chem.

The complete schedule is available online at http://www.q-chem.com/wssf14_sched.html.

All workshop participants will receive a free four-month license for 
unlimited use of Q-Chem 4.2.  Space is limited to 75 registrants, 
so please register as soon as possible on our website by going to http://www.q-chem.com/wssf14_regist.html.  

We look forward to seeing you at Berkeley.

Happy Computing,
The Q-Chem Team
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