#1 Sat Mar 24, 2012 10:35 pm
Registered: Aug 2007
Below I am pasting a message from the Q-Chem CEO, about an upcoming Q-Chem workshop:
Q-Chem would like to invite you to a workshop in conjunction with the 44th Midwest Theoretical Chemistry Conference (MWTCC) in Madison, Wisconsin.
The workshop is in the afternoon of June 7th, immediately preceding the conference which starts in the evening. Q-Chem is a comprehensive ab initio package and the recent release of Q-Chem 4.0 includes many of the latest developments in quantum methodology. The workshop will highlight some of the features in the new Q-Chem 4.0 software package and provide hands-on tutorials of how to use the Q-Chem Program.
Please bring your own laptop computers for the tutorials. All workshop participants will receive a free four-month license for unlimited use of Q-Chem 4.0. Please register by May 15th on our website (http://www.q-chem.com/qchem-website/wsmtcc_hh.html).
Q-Chem 4.0 represents the state-of-the-art of methodology from the highest performance DFT/HF calculations to high level post-HF correlation methods:
• Dispersion-corrected and double hybrid DFT functionals;
• Faster algorithms for DFT, HF and coupled-cluster calculations;
• Structures and vibrations of excited states with TD-DFT;
• Methods for mapping complicated potential energy surfaces;
• Efficient valence space models for strong correlation;
• More choices for excited states, solvation and charge-transfer;
• Effective Fragment Potential and QM/MM for large systems;
• Shared-memory for multicores and implementations for GPU's.
• For a complete list of new features, please visit our website http://www.q-chem.com/index.htm.
Jing Kong, PhD
CEO and Chief Scientist