|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!!!
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