[Colloquium] REMINDER: Seminar Announcement: Computational Molecular Science Mini-Symposium

[Ninfa Mayorga]

Computation Institute Presentation

Date: September 6, 2011
Time: 10:30 AM - 3:30 PM
Location: The University of Chicago, 5735 S. Ellis Avenue, Computation  
Institute - Searle 240

Computational Molecular Science Mini-Symposium

The field of molecular computer simulation has contributed  
significantly to the ongoing revolution in the biological, chemical,  
and material sciences, but its impact on our understanding of  
mesoscopic and macroscopic scale phenomena remains relatively limited.  
Molecular dynamics (MD) simulation, in which Newton's equations of  
motion are integrated in time for an atomistic model of a system of  
interest, is the main form of computer simulation utilized in such  
molecular science studies. MD simulations can now be routinely carried  
out for systems having hundreds of thousands of atoms and for  
trajectories lasting up to microseconds. While present-day molecular- 
scale MD simulations may seem both large and long on the atomic scale,  
at the mesoscopic scale and beyond (e.g., the scale of cellular  
biology or that of complex energy storage and conversion materials)  
such simulations can provide only a small part of the overall picture.  
The larger length and time scale processes are much more complicated,  
so a new multiscale theoretical and computational paradigm is clearly  
needed in order for computer simulation to fully address the features  
of such complex systems.

Please join us for a series of talks and discussion aimed at exploring  
collaboration opportunities in this important area. Speakers include:

Gregory Voth, UC Department of Chemistry, Computation Institute, James  
Franck Institute and Institute for Biophysical Dynamics
Ian Foster, UC and Argonne, Computation Institute
Aaron Dinner, UC Department of Chemistry
Jonathan Weare, UC Department of Mathematics
Nina Singhal Hinrichs, UC Departments of Computer Science and Statistics
Ryan Jorn, Argonne Computing and Life Sciences.

Note: If you are interested in attending this event, please RSVP to imorrison at ci.uchicago.edu 
.


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