[LA-SiGMA] LASiGMA Seminar - C. David Sherrill, May 7 at 3:30pm (Please see new broadcast information)

[shelley lee]

Dear All,
	
Dr. C. David Sherrill of Georgia Institute of Technology will be giving a
talk Wednesday, May 7th at 3:30pm in 234 at The Liberal Arts Building,
University of New Orleans. The title of his talk is "Modeling and
Visualizing Non-Covalent Interactions."

Abstract:
Non-covalent interactions govern the properties of liquids, crystal packing
forces, protein structure, and drug-ligand binding.  However, they are still
not well understood at a fundamental level.  Our group has been developing
and using tools from quantum chemistry to better understand the fundamental
nature of non-covalent interactions, especially involving organic molecules.
This talk will highlight the state-of-the-art in computations of
non-covalent interactions: their strength, directional dependence,
substituent effects, and fundamental makeup in terms of the basic
intermolecular forces.  We have developed the world's fastest computer code
to perform energy component analysis using symmetry-adapted perturbation
theory, and recently we have extended our approach to both quantify and
visualize which intermolecular contacts are the most important for a given
system.  Case studies including cation-pi interactions and base stacking in
DNA will illustrate the approach.

Biography:
Dr. C. David Sherrill is a Professor of Chemistry and Biochemistry and a
Professor of Computational Science and Engineering at the Georgia Institute
of Technology.  He is co-director of the Center for Computational Molecular
Science and Technology, and he has published over 140 peer-reviewed articles
on the development and application of new theoretical methods and new
algorithms in computational quantum chemistry.  He is a Fellow of the
American Chemical Society and the American Physical Society, and he has been
Associate Editor of the Journal of Chemical Physics since 2009.  Dr.
Sherrill has received a Camille and Henry Dreyfus New Faculty Award (1999),
the International Journal of Quantum Chemistry Young Investigator Award
(2001), an NSF CAREER Award (2001), and Georgia Tech's W. Howard Ector
Outstanding Teacher Award (2006).

Also available on site at the locations below:
LSU - 1008B, Digital Media Center
LATech - 122, Nethken Hall
SUBR - 211 J.B. Moore Hall
Xavier - 226 Qatar Pavillion

Please note, this seminar will ONLY be accessible through HD
videoconferencing.

Regards,
Shelley Lee
Project Coordinator
225-578-0465








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