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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
To: chemistry-request at
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 

The complete schedule is available online at

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  

We look forward to seeing you at Berkeley.

Happy Computing,
The Q-Chem Team
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