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Up Directory CCL 14.06.25 Webinar Presentation by Prof. Anna Krylov, Prof. Daniel Lambrecht, Prof. John Herbert and Dr. Zhengting Gan, entitled "Q-Chem 4.2: An Engine for Innovation"
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Thu Jun 19 12:43:51 2014
Subject: 14.06.25 Webinar Presentation by Prof. Anna Krylov, Prof. Daniel Lambrecht, Prof. John Herbert and Dr. Zhengting Gan, entitled "Q-Chem 4.2: An Engine for Innovation"
Registration:  https://attendee.gotowebinar.com/register/4576823062742201090 
Time:  1pm - 2pm EDT 

Summary: 
This webinar covers some of the most exciting new features and new improvements in the
recent Q-Chem 4.2 release, and it consists of short presentations from four key developers
of Q-Chem. Prof. Anna Krylov will provide a brief summary of the latest advances to our 
CCSD and EOM-CCSD module. Prof. Daniel Lambrecht will demonstrate the density 
embedding methods from his group. Prof. John Herbert will introduce his XSAPT methods 
for homogeneous QM/MM calculations on molecular clusters. Finally, Dr. Zhengting Gan 
will review Q-Chem's parallel capabiity for DFT calculations, which has been significantly 
improved thanks to his recent OpenMP implementations. 


Presenters: 
Anna Krylov is a Professor of Chemistry at the University of Southern California. She is a 
world-renowned theoretical chemist and is especially known for her advancement of CCSD, 
EOM-CCSD and spin flip methods. 

Daniel Lambrecht is an Assistant Professor of Chemistry at the University of Pittsburgh, and 
specializes in computational studies of catalysis, spectroscopy and materials. He has made 
vital contributions to Q-Chem's MP2, molecular dynmamics and density embedding 
capabilities. 

John Herbert is an Associate Professor of Chemistry at Ohio State University. He has led 
cutting-edge research on the development of new excited states density functionals, 
QM/MM methodologies, implicit solvation models, fragmentation methods, and other 
biochemical and photochemical simulation techniques, which has led to a wide range of 
improvements to the Q-Chem software. 

Zhengting Gan is Q-Chem's Head of Software Development and Head of Customer 
Relations. Among his numerous contributions to Q-Chem, he has significantly advanced Q-
Chem's parallel capabilities (especially for DFT calculations), and has also modernized Q-
Chem's coding framework for faster DFT and TDDFT calculations.
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