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NWChem:Current events

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(NWChem developers lead contributors to PCCP review article)
(NWChem developers lead contributors to PCCP review article)
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===NWChem developers lead contributors to PCCP review article===
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===PCCP Perspective Published===
[[File:Pccp0120026_ifc_148.jpg|right]]
[[File:Pccp0120026_ifc_148.jpg|right]]
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[http://dx.doi.org/doi:10.1039/c002859b|Phys. Chem. Chem. Phys. 12, 6896 (2010)]
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Developers of NWChem at EMSL were the lead authors on a perspective article in the highly ranked PCCP journal on utilizing high performance computing for chemistry and parallel computational chemistry. The article and cover were published in [http://dx.doi.org/doi:10.1039/c002859b|Phys. Chem. Chem. Phys. 12, 6896 (2010)].
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===NWChem released as open-source===
===NWChem released as open-source===

Revision as of 11:00, 3 September 2010

Contents

PCCP Perspective Published

Pccp0120026 ifc 148.jpg

Developers of NWChem at EMSL were the lead authors on a perspective article in the highly ranked PCCP journal on utilizing high performance computing for chemistry and parallel computational chemistry. The article and cover were published in Chem. Chem. Phys. 12, 6896 (2010).

NWChem released as open-source

On September 30, 2010 NWChem version 6.0 was released. This version marks a transition of NWChem to an open-source software package. The software is being released under the [Educational Community License 2.0] (ECL 2.0). Users can download the source code and a select set of binaries from this site.

New functionality includes...

New platforms include

NWChem tutorial at NCSA

NWChem tutorial at the National Supercomputer Center in Bejing