CCL Home Page
Up Directory CCL 09.03.19 Workshop on electronic structure calculations in Pittsburgh
From: chemistry-request at
To: chemistry-request at
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 (
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
Jing Kong, Ph.D.
CEO & Chief Scientist
All @ signs were changed to ^ to fight spam. Before you send e-mail, you need to change ^ to @
For example: change joe^ to
Please let colleagues know about conference listingts at Computational Chemistry List Conference Page at

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.