NWChem
General Information
Short Description: Ab-initio and molecular dynamics
Long Description: NWChem is a computational chemistry package capable of performing calculations of molecular electronic energies and analytic gradients using ab-initio methods. NWChem is also capable of performing classical molecular dynamics simulations of macromolecules and solutions.
Category: Applications - Scientific and Engineering: Chemical Engineering
Applications - Scientific and Engineering: Computational Chemistry
Vendor/Developer: Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboraroty
Vendor Website: http://www.emsl.pnl.gov/
Software Website: http://www.emsl.pnl.gov/docs/nwchem/nwchem.html
Programming Language:
Terms of Use:
Installation Information
Version: 5.1 Version Date: 0000-00-00
Installed Site: National Center for Supercomputing Applications
Installed Platform: IA-64 Linux Cluster
Point of Contact: Sudhakar Pamidighantam
Installation Status: Complete
Installation Date: 2008-07-02
Usage Information
Usage URL:
Usage Information:
User Guide Homepage:
License Information
Number of Licenses:
User Fee:
Type of License: N/A
Type of Installation: Available to all allocated users
Distribution Information:
