NWChem

“NWChem” is an open computational software that allows you to deal with large scientific problems such as biomolecules, nanostructures, gaussian functions and so on. A few of the things you can use this software for are: quantum molecular dynamics, electronic structure analysis, potential energy surface analysis, quantum mechanical methods, etc. The software is maintained by the EMSL ( Environmental Molecular Sciences Laboratory) located at the Pacific Northwest National Laboratory.

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