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Up Directory CCL 07.01.25 NWCHEM MEETING ON SCIENCE DRIVEN PETASCALE COMPUTING AND CAPABILITY DEVELOPMENT
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Tue Dec 12 11:27:25 2006
Subject: 07.01.25 NWCHEM MEETING ON SCIENCE DRIVEN PETASCALE COMPUTING AND CAPABILITY DEVELOPMENT
With the emergence of petascale computing platforms computational quantum 
chemistry is on the verge of entering a new era of modeling. These new 
resources will enable researchers to tackle scientific problems that 
larger and more realistic than ever before, and to include more of the 
complex dynamical behavior of nature. 

In this regard, EMSL is organizing a two-day meeting January 25-26 to 
develop a long-term strategy for Environmental Molecular Sciences 
Laboratorys NWChem quantum chemistry software suite.  The strategic plan 
will include ideas on what the future computational chemistry scientific 
challenges will be, which role petascale computing will play, and it will 
define the most significant needs in terms of capability development in 
NWChem.

The meeting will include panel discussions, and presentations by 
scientific leaders in key programs and science areas along with key 
computational chemistry methodology developers, computer scientists, 
and mathematicians. Some of the invited speakers that will be presenting 
are Bill Lester, Robert Harrison, Giulia Galli, Rod Bartlett, Dave Dixon, 
and Saday Sadayappan.

A poster session is planned during the evening on January 25, which 
will provide you with an opportunity for you to showcase your research 
program, and to provide EMSL and the NWChem developer team with ideas to 
guide investments for software capability development. Please provide a 
title and abstract when you sign-up for the meeting.

Meeting information and registration (free) information is available on the 
NWChem Meeting website http://www.emsl.pnl.gov/nwchemmeeting/ . 
Registration is free and open to the scientific community. Foreign 
nationals that wish to participate are urged to sign up as soon as 
possible due to processing times.
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