From b38c0efa893afb65d3c36420d26bb4bc79fa64f4 Mon Sep 17 00:00:00 2001 From: Bert de Jong Date: Tue, 22 Jan 2008 23:36:10 +0000 Subject: [PATCH] More text --- web/nwchem_main.html | 23 +++++++++++++++++++++-- 1 file changed, 21 insertions(+), 2 deletions(-) diff --git a/web/nwchem_main.html b/web/nwchem_main.html index 3d0435665d..2b777c7b8d 100644 --- a/web/nwchem_main.html +++ b/web/nwchem_main.html @@ -1,7 +1,7 @@ - + @@ -43,7 +43,26 @@ has been funded by the EMSL Construction Project. The report developed from the NWChem Meeting on Science Driven Petascale Computing and Capability Development at EMSL, held in January 2007 is now available online.

-Details on the meeting are still available on the NWChem Meeting website. +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 +EMSL's science themes.

+As such, the development strategy for the next 5 years will be two-fold: +
    +
  1. 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.
    2. +
  2. 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.
    3. +
+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. +

+Details on the meeting, including slides from presentations and Live Stream Recordings of Meeting Presentations, are +available on the NWChem Meeting website.

Announcing NWChem-5.1