CCL Home Page
Up Directory CCL 16.08.21 Workshop on Electronic Structure Calculations preceding ACS National Meeting in Philadelphia
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Wed May 18 14:42:55 2016
Subject: 16.08.21 Workshop on Electronic Structure Calculations preceding ACS National Meeting in Philadelphia
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'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 http://www.q-chem.com/wsPhil16_regist.html.

We look forward to seeing you in Philadelphia.

Happy computing,

The Q-Chem Team
NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
All @ signs were changed to |-| to fight spam. Before you send e-mail, you need to change |-| to @
For example: change joe|-|big123comp.com to joe@big123comp.com
Please let colleagues know about conference listingts at Computational Chemistry List Conference Page at http://www.ccl.net/chemistry/a/conferences/.

Please help: If you find this conference list useful but you noticed some conference missing, please consider including it here by using the Conference Submission Page. It is free but your support is welcome. You will help others!!!

Modified: Wed May 18 18:42:55 2016 GMT
Page accessed 4138 times since Wed May 18 18:40:29 2016 GMT

Please help maintain CCL: If you found that your conference is listed here, please consider supporting CCL as a Supporting Member or use other Paid Services of CCL to ensure the continuation of this useful service. We cannot do it without your help.