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Bert de Jong 2008-01-22 23:36:10 +00:00
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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"
"http://www.w3.org/TR/html4/loose.dtd">
<html>
<!-- $Id: nwchem_main.html,v 1.4 2008-01-22 23:07:32 bert Exp $ -->
<!-- $Id: nwchem_main.html,v 1.5 2008-01-22 23:36:10 bert Exp $ -->
<head>
<meta http-equiv="Content-Type" content="text/html">
<meta name="Author" content="Mahin Hackler">
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The report developed from the NWChem Meeting on Science Driven Petascale Computing and Capability Development at EMSL,
held in January 2007 is now available <a href="NWCHEM_EMSL_Meeting_Report.pdf">online</a>.
<br><br>
Details on the meeting are still available on the <a href="http://www.emsl.pnl.gov/nwchemmeeting/">NWChem Meeting website</a>.
The NWChem development strategy is focused on providing new and essential scientific capabilities to EMSL users and
enabling innovative and integrated research at EMSL, while at the same time effectively utilizing the latest computing
technology on supercomputers hundreds of teraflops and tens of thousands of processors in size. Scientific capability
areas that will be developed in NWChem are aligned with
<a href=http://www.emsl.pnl.gov/proj/science_themes.shtml">EMSL's science themes</a>. <br><br>
As such, the development strategy for the next 5 years will be two-fold:
<ol>
<li>Enable NWChem to push the scientific envelope by scaling the software to petaflop architectures. An improved
software architecture that can effectively utilize the hardware advances and tens to hundreds of thousands of
processors anticipated in the next 10 years will be designed and developed.</li>
<li>Develop new and essential cutting-edge capabilities that enable research to answer scientific questions in the
areas of 1) kinetics and dynamics of chemical transformations, 2) chemistry at interfaces and in the condensed phase,
and 3) spanning longer time regimes with molecular dynamics.</li>
</ol>
These two development areas are not independent of each other, as new capabilities often involve new types of algorithms
that may be able to exploit the petascale architectures in different ways than the traditional quantum chemistry and
molecular dynamics methodologies.
<br><br>
Details on the meeting, including slides from presentations and Live Stream Recordings of Meeting Presentations, are
available on the <a href="http://www.emsl.pnl.gov/nwchemmeeting/">NWChem Meeting website</a>.
<br><br>
<hr>
<B>Announcing NWChem-5.1