Subject: Call for papers fall ACS symposium "Chemistry in the Large - Teraflop Computing and beyond"

From: "DeJong, Wibe A" <Wibe.DeJong [a] pnl.gov>
Date: Mon, 18 Apr 2005 14:14:09 -0700

Dear colleagues,
You are invited to submit papers for the symposium "Chemistry in the
Large - Teraflop Computing and beyond". This symposium will take place
as part of the COMP section symposia at the 230th American Chemical
Society National Meeting, August 28-September 1 in Washington, DC.
Note: the deadline for submitting abstracts is April 25, i.e. next
Monday.
The goal of this symposium is to discuss current and future applications
and challenges for computational chemistry research on large teraflop
computer systems and beyond. What are the large scientific challenges
that are being solved today? What will the science be that can be done
on tera- and petascale computers? Do we need to change the algorithms
and/or paradigms in computational chemistry? Sessions will include
topics such as:
	* Searching for chemical accuracy: terascale computing with high
accuracy ab inito methodologies
	* Simulating biological processes on thousands of processors
	* Teraflop computing in geochemistry, nanoscience and catalysis
	* Making computational chemistry codes efficient beyond the
terascale 
In addition a general session on future scientific challenges in
computational chemistry on petaflop computing platforms is available.
The deadline for submittal of abstracts via the ACS OASYS abstract
system (http://oasys.acs.org/oasys.htm) for the symposium is April 25,
2005. So, please submit soon! More information about this symposium can
be obtained from the authors (Theresa.Windus [a] pnl.gov,
bert.dejong [a] pnl.gov).
With best regards, 
Theresa L. Windus and Wibe A. de Jong