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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!!! 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!!! |
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