Chemical Engineering & Chemistry

Gaussian

Gaussian is the most popular general purpose electronic structure program. Its latest version, g09, can perform density functional theory, Hartree-Fock, Möller-Plesset, coupled-cluster, and configuration interaction calculations among others. Geometry optimizations, vibrational frequencies, magnetic properties, and solution modeling are available. It performs well as black-box software on closed-shell ground state systems.

FLUENT

FLUENT is a state-of-the-art computer program for modeling fluid flow and heat transfer in complex geometries.

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Availability & Restrictions

FLUENT is available on both the Glenn and Oakley clusters.  The following versions are available:

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