From: chemistry-request at
To: chemistry-request at
Date: Wed Jan 9 12:18:13 2013
Subject: 13.01.16 WEBINAR: Exploring Solvation Effects with Continuum Solvation Models, John Herbert, 2PM EST, Jan 16, 2013
Title: Exploring Solvation Effects with Continuum Solvation Models
Presenter: Prof. John Herbert
When: 2:00 pm EST on Wednesday, January 16, 2013
Duration: 1 hour


This talk will cover the basic continuum solvation models that are included
in Q-Chem for use with electronic structure calculations. These include 
the SM8 model of Cramer and Truhlar and the polarizable continuum models (PCMs) 
developed by Tomasi and others, and the SS(V)PE model developed by Chipman. 
Advanced features, such as Q-Chem's smooth implementation of PCMs, and 
a linear-scaling algorithm for large QM/MM/PCM calculations will also be discussed.


Prof. John Herbert obtained his Ph.D. from the University of Wisconsin at Madison, 
and performed his postdoctoral research at Ohio State University and the University 
of California at Berkeley. He is now an associate professor of Chemistry at 
Ohio State University and a board member of Q-Chem. Prof. Herbert's group develops 
and applies new electronic structure models and algorithms. He is especially known 
for his development of new density functionals for studying excited states in gas-phase, 
macromolecules and condensed phases, for his development of ab initio molecular dynamics algorithms, 
for his study of solvated radicals, and for his development of implicit solvation models, 
which is the topic of this webinar. Prof. Herbert has been recognized with many awards, 
such as the Alfred P. Sloan Foundation Research Fellowship, the Camille Dreyfus 
Teacher-Scholar Award, and the ACS Outstanding Junior Faculty Award in Computational Chemistry.
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