|CCL 09.03.19 Workshop on electronic structure calculations in Pittsburgh|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Mon Dec 15 12:26:58 2008
Subject: 09.03.19 Workshop on electronic structure calculations in Pittsburgh
Dear colleague, Q-Chem Inc. would like to invite you to a workshop entitled "Quantum leap into the future: advances in methods and applications of electronic structure calculations". At the workshop, leaders in academia and industry will present new and improved computational methods for a wide range of chemical and biological applications. In addition, a hands-on training session, a poster session, and dinner will provide ample opportunities to meet these experts and learn the basic and advanced features of the state-of-the-art computational tools in soon-to-be-released Q-Chem 3.2. Q-Chem is a leading ab initio electronic structure program, with capabilities ranging from the highest performance density functional theory/Hartree-Fock (DFT/HF) calculations to high level post-HF correlation methods to combined quantum mechanical/classical mechanical (QM/MM) calculations. The two-day workshop will take place on the 19th and 20th of March, 2009, in the Pittsburgh Supercomputer Center, Pittsburgh, PA. Register by January 19th and receive a free one year group license for new customers, or a free upgrade for existing customers. Please visit the workshop home page for details (http://www.q-chem.com/ws_hh.html). Invited speakers (in alphabetical order): * Dr. Shawn Brown (Pittsburgh Supercomputer Center): Quantum simulations on supercomputers * Dr. Dan Cheney (Bristol-Myers Squibb): Comparison of correlated methods in the context of computer-aided drug design * Prof. Peter Gill (Australian National University): EDF1, EDF2 functionals, maximum overlap method for converging SCF calculations, fast HF for large basis sets * Prof. Martin Head-Gordon (UC Berkeley): New development in DFT functionals, and post-HF correlations including various MP2, active space and local methods * Prof. John Herbert (Ohio State University): Ab initio dynamics and excited states calculation * Dr. Jing Kong (Q-Chem Inc.): DFT with dispersion and fast DFT algorithms * Prof. Anna Krylov (University of Southern California): New development in coupled-cluster theory * Dr. Lee Woodcock (NIH): QM/MM with CHARMM * Prof. Yingkai Zhang (New York University): QM/MM with Tinker Sincerely, Jing Kong, Ph.D. CEO & Chief Scientist workshop^q-chem.comNOTE 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 firstname.lastname@example.org
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 15 17:26:58 2008 GMT|
|Page accessed 2987 times since Mon Dec 15 17:18:36 2008 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.