From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Fri Feb 4 11:16:15 2011
Subject: 11.03.26 Workshop on Electronic Structure Calculations, Anaheim, CA
NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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 (http://www.q-chem.com/wslal_hh.html) 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.
Jing Kong, PhD
CEO and Chief Scientist
All @ signs were changed to *o* to fight spam. Before you send e-mail, you
need to change *o* to @
For example: change joe*o*big123comp.com to firstname.lastname@example.org
Please let colleagues know about conference listingts at
Computational Chemistry List Conference Page at
Please help: If you find this
conference list useful but you noticed some conference missing,
please consider including it here by using the
Conference Submission Page. It is
free but your support is welcome. You will help others!!!