Q-Chem Workshop 2011

November 15, 2011

University of Hong Kong

Q-Chem would like to invite you to a one day workshop of quantum chemistry on November 15th at the University of Hong Kong, hosted by Dr. Hao Hu of Department of Chemistry. The workshop will highlight some of the features in the new Q-Chem 4.0 software package. 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. Q-Chem 4.0 represents the most recent development in quantum chemistry and adds with many new functionalities including:

• Dispersion, double hybrid, and range]corrected functionals with faster DFT calculations;


• Enhanced performance of EOM]CCSD methods for radicals and excited states;


• Series of effective active space models for strong correlation;


• TDDFT analytical gradient and Hessian, and various methods for the calculation of chargetransfer and correlated excited states;


• New hybrid and solvation models for large systems;


• Support for multicore systems and GPU;

as well as many other areas.

At the workshop, Dr. Jing Kong, CEO & Chief Scientist from Q-Chem Inc., will present the new features in Q-Chem 4.0 and demonstrate the usage of Q-Chem through hands-on tutorials. Q-Chem offers a 6-month license to the participants of the workshop. Participants are required to bring their laptops for the tutorial. Please download software from Q-Chem website (www.q-chem.com) prior to the tutorials.