[theochem-announce] Theoretical chemistry seminar TODAY: Prof. Robert Harrison, Stony Brook University

[Michael Mavros]

Hi all,

Professor Robert Harrison of Stony Brook University / Brookhaven National
Lab will be giving a theoretical chemistry seminar *today, November 6 at
4:00 PM in room 4-163.*

*Title: Seeking a sustainable model for scientific simulation*

*Abstract:*

Many are now questioning whether our current
approaches to developing software for science
and engineering are sustainable.  In particular,
can we deliver to society and the nation the
full benefits expected from high-performance
simulation at the peta and exascales?  Or is
innovative science being stifled by the increasing
complexities of all aspects of our problem space
(rapidly changing hardware, software, multidisciplinary
physics, etc.)?

Focusing on applications in chemistry and materials
science, and motivated co-design of exascale hardware
and software, I will discuss many of these issues
including how chemistry has already been forced to
adopt solutions that differ quite sharply to those in
the mainstream, and how these solutions position
us well for the technology transitions now under way.
Radical changes in how we compute, going all the way
back to the underlying numerical representation and
algorithms used for the simulation, also promise
great enhancements to both developer productivity and
the accuracy of simulations.

We hope you can attend!

-- 
Michael Mavros
Van Voorhis Group
Department of Chemistry, Massachusetts Institute of Technology
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