Subject: ACS symposium in Washington, DC: Chemistry in the Large -- Teraflop Computing and beyond

From: "DeJong, Wibe A" <Wibe.DeJong^at^pnl.gov>
Date: Mon, 21 Mar 2005 14:22:35 -0800

ANNOUNCEMENT OF ACS SYMPOSIUM:

          Chemistry in the Large -- Teraflop Computing and beyond

         Organizers: Theresa L. Windus, Wibe A. de Jong (EMSL/PNNL)

You are cordially 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.

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 for the symposium is April 25,
2005.  
So, please submit soon!
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Note: This symposium is incorrectly listed with "Invited papers only" in
the ACS
OASYS abstract system (http://oasys.acs.org/oasys.htm).  The organizers
strongly
encourage and welcome the submission of CONTRIBUTED papers.  In
addition, the 
title currently listed in OASYS is "Chemistry in the Large -- Multiple
Processor 
Computing".  More information about this symposium can be obtained from
the 
organizers (Theresa.Windus^at^pnl.gov, bert.dejong^at^pnl.gov).