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
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 (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.
Happy Computing!
Jing Kong, PhD
CEO and Chief Scientist
Q-Chem, Inc.
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