Dear colleague:

Q-Chem would like to invite you to a workshop of quantum chemistry in Santiago de Compostela, Spain in the afternoon of Saturday, July 16, 2011.  It is the day before WATOC 2011 starts. The workshop will highlight some of the features in the new Q-Chem 4.0 software package.  Q-Chem 4.0 contains significant new functionality, including:

• TD-DFT analytic gradient and Hessian for excited-state structure optimization;
• IRC searches for mapping complicated potential energy surfaces;
• Range-separated and dispersion-corrected DFT functionals;
• Faster algorithms for DFT, HF and coupled-cluster calculations;
• More choices for excited-state, solvation and charge-transfer calculations;
• Effective Fragment Potential and QM/MM for treating large systems;
• Maximum Overlap Method for excited-state calculations of large systems;
• Intracules for analysis of two-electron properties;
• Shared-memory for multicore systems and implementations for GPUs;

as well as many other areas.

The workshop will consist of seminars and a demonstration of Q-Chem 4.0. Seminar speakers include Christian Ochsenfeld (Uni Muenchen), David Casanova (Uni Barcelona), Martin Head-Gordon (Uni of California, Berkeley), Peter Gill (Australian National Uni) and Anna Krylov (Uni Southern California). The meeting will take place at the site of WATOC. The registration fee is $25 and covers coffee, tea and soft drinks.

All workshop participants will receive a free six-month license for unlimited use of Q-Chem 4.0.

Please register by June 30 on our website by clicking here.


Happy Computing,

Jing Kong, PhD
CEO and Chief Scientist
Q-Chem, Inc.