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.
NWChem software can handle:
NWChem is actively developed by a consortium of developers and maintained by the EMSL located at the Pacific Northwest National Laboratory ( PNNL ) in Washington State. Researchers interested in contributing to NWChem should review the Developers page . The code is distributed as open-source under the terms of the Educational Community License version 2.0 (ECL 2.0).
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分子模拟小破屋
About Me | jeffhammond.github.io
Science in Parallel | DOE CSGF
AiiDA plugin for NWChem — aiida-nwchem 1.0.2 documentation
Chemissian: software to analyze spectra, build density maps and molecular orbitals |
Group of Dr Andrew Logsdail, School of Chemistry, Cardiff University
Open Source Molecular Modeling