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24 lines
2.5 KiB
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<h1> <span class="mw-headline" id="NWChem:_Open_Source_High-Performance_Computational_Chemistry">NWChem: Open Source High-Performance Computational Chemistry</span></h1>
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<a href="https://raw.githubusercontent.com/nwchemgit/nwchem/master/contrib/git.nwchem/MS3_logo_cropped.png"
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class="image" title="caption">
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<img alt="caption"
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src="https://raw.githubusercontent.com/nwchemgit/nwchem/master/contrib/git.nwchem/MS3_logo_cropped.png"
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width="150" height="150" /></a>
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<p>NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.
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</p><p>NWChem software can handle:
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<ul><li>Biomolecules, nanostructures, and solid-state
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</li><li>From quantum to classical, and all combinations
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</li><li>Ground and excited-states
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</li><li>Gaussian basis functions or plane-waves
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</li><li>Scaling from one to thousands of processors
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</li><li>Properties and relativistic effects
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</li></ul>
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<p>NWChem is actively developed by a consortium of developers and maintained by the <a href="http://www.emsl.pnl.gov" class="external text" rel="nofollow">EMSL</a> located at the Pacific Northwest National Laboratory (<a href="http://www.pnl.gov" class="external text" rel="nofollow">PNNL</a>) in Washington State. Researchers interested in contributing to NWChem should review the <a href="http://www.nwchem-sw.org/index.php/Developer" class="external text" rel="nofollow">Developers page</a>. The code is distributed as open-source under the terms of the <a href="http://www.opensource.org/licenses/ecl2.php" class="external text" rel="nofollow">Educational Community License version 2.0</a> (ECL 2.0).
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</p><p>The NWChem development strategy is focused on providing new and essential scientific capabilities to its users in the areas of kinetics and dynamics of chemical transformations, chemistry at interfaces and in the condensed phase, and enabling innovative and integrated research at EMSL. At the same time continued development is needed to enable NWChem to effectively utilize architectures of tens of petaflops and beyond.
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</p><p>The current version of NWChem is version 6.8.1 can be downloaded from this [<a href="https://github.com/nwchemgit/nwchem/releases/tag/6.8.1-release" class="external text" rel="nofollow"><u>link</u></a>].
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