NWChem
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:
