NWChem 

Description

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: biomolecules, nanostructures, and solid-state; from quantum to classical, and all combinations; Gaussian basis functions or plane-waves; scaling from one to thousands of processors; properties and relativity.

More information

- Homepage: https://nwchemgit.github.io/

Available Versions of NWChem

This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.

Usage Hints for NWChem

If you need support in using this software or example job scripts please click pc2-support@uni-paderborn.de.