From: chemistry-request at
To: chemistry-request at
Date: Fri Feb 4 11:16:15 2011
Subject: 11.03.26 Workshop on Electronic Structure Calculations, Anaheim, CA

Dear Colleague:

Q-Chem Inc. would like to invite you to a workshop on Saturday, March 26, preceding the national ACS meeting in Anaheim, California, and highlighting the release of the Q-Chem 4.0 software package.  Q-Chem 4.0 contains significant new functionality, including:

* TD-DFT gradient 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 hands-on tutorials.  Seminar speakers include Martin Head-Gordon (Berkeley), Peter Gill (ANU), Anna Krylov (USC), John Herbert (Ohio State), Paul Ha-Yeon Cheong (Oregon State) and Jing Kong (Q-Chem).  Tutorials will be run by Yihan Shao and Zhengting Gan from Q-Chem, Inc.

The workshop takes place from 8:30 a.m. to 4:30 p.m. at Doubletree Guest Suites Anaheim Resort/Convention Center (2085 S. Harbor Boulevard, Anaheim, CA 92802).  The registration fee is $50 and covers continental breakfast, lunch, coffee and soft drinks. 

Please register by February 28 on our website ( and bring your laptop (Windows 7/Vista/XP or Mac) for the tutorials.   The software and tutorial materials will be available for downloading on the Q-Chem website after March 12.

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

Happy Computing!

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

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