NCSA and Q-Chem Inc. are holding a two-day workshop on advances in methods and applications of electronic structure calculations with the Q-Chem program. Q-Chem is a comprehensive ab-initio quantum-chemistry package with capabilities ranging from the highest performance DFT/HF calculations to high level post-HF correlation methods in electronic structure calculations. Q-Chem tackles a wide range of molecular problems in academic, government and commercial laboratories, including:
* Molecular Structures
* Electronic Spectra
* Chemical Reactions
* NMR Spectra
* Molecular Vibrations
* Solvation Effects
* Combined QM/MM Method
The workshop will be held on November 4 - 5, 2009 at the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign, 1205 W. Clark Street, Urbana, IL-61801. The workshop will consist of hands-on tutorial sessions and provide opportunities to learn basic and advanced features of the computational tools in Q-Chem, including the use of graphic GPU enabled NCSA servers.
Please bring your computer laptop for the workshop, the software will be provided prior to the workshop through downloading. For details visit the workshop website at www.q-chem.com/wsil_hh.html. There is no charge for attending this workshop, however space is limited.
LOCATION:National Center for Supercomputing Applications UID:20091124T03520743@ece.uiuc.edu DTSTAMP:20091124T035207 URL:http://www.q-chem.com/wsil_regist.html CATEGORY:Workshop END:VEVENT END:VCALENDAR