|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 TeamNOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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