QChem

Software Summary
Last Updated On: 

Monday, September 18, 2017

Support Level: 
Secondary Support
Software Access Level: 
Open Access
Software Categories: 
Electronic Structure
Molecular Modeling and Simulation
Spectroscopy
Software Description
Software Description: 

Q-Chem is a comprehensive ab initio quantum chemistry package. Its capabilities range from the highest performance DFT/HF calculations to high level post-HF correlation methods.

The QChem module is available on the Itasca and Cascade clusters.

 

Software Documentation

Software Documentation Tabs