From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Thu Oct 30 18:06:03 2014
Subject: 15.03.21 User Workshop for Q-Chem - Day before 249th ACS Meeting in Denver
Dear Colleagues,
Q-Chem would like to invite you to a user workshop in conjunction with the 249th American
Chemical Society National Meeting in Denver, Colorado.
Q-Chem is a comprehensive ab initio software package, and the 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 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:
- new 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.
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.
Register at http://www.q-chem.com/wsUCD15_regist.html.
We look forward to seeing you in Denver.
Happy computing,
The Q-Chem team
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