|CCL 13.03.26 Webinar: "MP2 Methods in the Q-Chem Software Package "|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Thu Mar 14 14:11:32 2013
Subject: 13.03.26 Webinar: "MP2 Methods in the Q-Chem Software Package "
Title: "MP2 Methods in the Q-Chem Software Package" Presenter: Prof. Daniel Lambrecht, University of Pittsburgh When: Tuesday, Mar 26, 2013, 2:00 PM - 3:00 PM EDT Duration: 1 hour Registration: https://attendee.gotowebinar.com/register/5283386816927543040 Summary: Q-Chem contains a large collection of MP2 methods, which are the cheapest ways to rigorously incorporate electron correlation (including the van-der-Waals interaction) in an electronic structure calculation. They include the resolution-of-the-identity MP2, scaled-opposite-spin MP2, dual-basis MP2, optimized-orbitals scaled-opposite-spin MP2, etc. In this presentation, we will review these methods, with a special focus on their cost, accuracy and applicability. We will finish with a brief discussion of double-hybrid density functionals (DHDFs). About the Presenter: Daniel Lambrecht is an assistant professor of Chemistry at the University of Pittsburgh. He obtained his Ph.D. in Theoretical Chemistry from the University of Tubingen in 2008, where he developed efficient MP2 methods and received the Award for best PhD in Chemistry & Pharmacy in 2007. From 2008 to 2012, he was a postdoctoral fellow at the University of California at Berkeley, where he continued his development of fast MP2 methods while working on the quasiclassical trajectory method for incorporating vibrational effects into ab initio molecular dynamics simulations. His group at Pittsburgh focuses on: (a) developing new reduced scaling quantum chemistry approaches; and (b) computational catalysis.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 email@example.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!!!
|Modified: Thu Mar 14 18:11:32 2013 GMT|
|Page accessed 2748 times since Thu Mar 14 18:11:33 2013 GMT|
Please help maintain CCL: If you found that your conference is listed here, please consider supporting CCL as a Supporting Member or use other Paid Services of CCL to ensure the continuation of this useful service. We cannot do it without your help.