[LA-SiGMA] LASiGMA Seminar Wednesday, October 15th at 3:30 pm - Teresa Head-Gordon

[shelley lee]

Dear All,

Dr. Teresa Head-Gordon will be giving a talk, Wednesday, October 15, 3:30pm
in room 1008B at the Digital Media Center, Louisiana State University. The
title of her talk is "Methods and Models and Software for Molecular
Simulation."

Abstract:
There will be an introduction to new theoretical models and methods that
include direct and mutual polarization based on the AMOEBA polarizable force
field and our semi-analytical Poisson-Boltzmann solver, PB-SAM. These models
and their implementations on multicores are opening up new abilities for
allowing larger scales of study for molecular simulation with more complex
potential energy surfaces.

Biography:
Dr. Teresa Head-Gordon is Professor of Chemistry, Bioengineering, and
Chemical & Bio-molecular Engineering at University of California, Berkeley.
She is also a Faculty Staff Scientist, Chemical Sciences Division, at
Lawrence Berkeley National Laboratory. Her research program encompasses the
development of general computational and experimental methodologies applied
to chemistry and biophysics in the areas of water and aqueous hydration,
proteins and macromolecular assemblies, non-disease and disease protein
aggregation, and most recently bio-catalysis. She has also been involved in
local and national service, education, and training, which extends to
promoting and developing the blueprint for computational science and
engineering for the future.

Also available on site at the locations below.
UNO - 234, Liberal Arts Building
LATech - 122, Nethken Hall
SUBR - 211 J.B. Moore Hall
Xavier - 226 Qatar Pavillion
Tulane - 600 Lindy Boggs

Please note, this seminar will ONLY be accessible through HD
videoconferencing. Adobe connect will NOT be offered.

Regards,
Shelley Lee
Project Coordinator
225-578-0465





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