CCL Home Page
Up Directory CCL 13.12.11 Webinar Presentation by Prof. Martin Head-Gordon entitled, "What's New in Q-Chem 4.1?"
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Mon Dec 2 09:19:38 2013
Subject: 13.12.11 Webinar Presentation by Prof. Martin Head-Gordon entitled, "What's New in Q-Chem 4.1?"
Summary:  
 
"In this webinar, I will do my best to summarize some of the most useful and most interesting 
developments that have been incorporated into the most recent major release, version 4.1, of the 
Q-Chem quantum chemistry software package. Q-Chem is an open teamware project that includes 
on-going contributions from numerous academic groups as well as the company itself. A total of 
about 200 active developers leads to a steady stream of exciting advances, that enable faster 
calculations, as well as some entirely new types of calculations. A selection of these advances, 
along with sample chemical applications will be presented. While not wishing to give away all of 
the content in advance, the topics will include new OpenMP parallel capabilities for density 
functional theory, improved functionals including M11, new path-finding methods to help explore 
potential energy surfaces, improved intermolecular decomposition analysis methods, the restricted 
active space spin flip approach, and possibly more!"    Prof. Martin Head-Gordon

Martin Head-Gordon is the Kenneth S. Pitzer Distinguished Professor of Chemistry at the 
University of California at Berkeley and the Scientific Advisor to Q-Chem, Inc. Dr. Head-Gordon's 
research group centers on the development of new electronic structure theory methods, and their
implementation as efficient computer algorithms. He is recognized with many awards, such as the 
Medal of the International Academy of Quantum Molecular Sciences (1998) and his election to the 
American Academy of Arts and Sciences (2011) and the American Chemical Society Fellow (2012).

Register for this conference to be held from 2:00 p.m. - 3:00 p.m. EST on December 11th 
at https://attendee.gotowebinar.com/register/40042159886645632.
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: Mon Dec 2 14:19:38 2013 GMT
Page accessed 4876 times since Mon Dec 2 14:19:38 2013 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.