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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.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!! All @ signs were changed to __ to fight spam. Before you send e-mail, you need to change __ to @ For example: change joe__big123comp.com to joe@big123comp.com Please let colleagues know about conference listingts at Computational Chemistry List Conference Page at http://www.ccl.net/chemistry/a/conferences/. 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!!! |
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