From: chemistry-request at ccl.net <br />
To: chemistry-request at ccl.net<br />
Date: Wed May 18 14:42:55 2016<br />
Subject: 16.08.21 <span class="fancysmall">Workshop on Electronic Structure Calculations preceding ACS National Meeting in Philadelphia</span><br />

<pre>Dear Colleagues,

Q-Chem would like to invite you to a user workshop in conjunction with the
252nd American Chemical Society National Meeting in Philadelphia,
Pennsylvania.

Q-Chem is a comprehensive ab initio software package, and the new Q-Chem
4.4 release, which includes the latest theoretical/computational advances
from Q-Chem&#39;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 4.4 release, and we will use
a new, previously unreleased version of IQmol graphical interface to
provide hands-on tutorials of how to use the Q-Chem Program. We will
highlight:

* application of quantum chemistry methods in Chemical, Biochemical and
Materials research;

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

* effective fragmentation potential method and other fragmentation
methods;

* QM/MM calculations.

All workshop participants will receive a free four-month license for
unlimited use of Q-Chem 4.4.   Space is limited, so please register as
soon as possible at <a href="http://www.q-chem.com/wsPhil16_regist.html" target="_blank">http://www.q-chem.com/wsPhil16_regist.html</a>.

We look forward to seeing you in Philadelphia.

Happy computing,

The Q-Chem Team</pre>
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