Gaussian uses basic quantum mechanic electronic structure programs. This software is capable of handling proteins and large molecules using semi-empirical, ab initio molecular orbital (MO), density functional, and molecular mechanics calculations.
GaussView is the graphical interface used with Gaussian. It aids in the creation of input files, and assists in the interpretation of output within the software.
- User: Faculty, Staff, Student, Researchers
- Devices: NYU-owned, personal
- Platforms: Windows, Mac, Linux
- Version: Gaussian 9/GaussView 5
Distribution and Availability
- Gaussian and GaussView are distributed by the High Performance Computing group on the NYU HPC clusters. Visit their wiki for more information or contact them at firstname.lastname@example.org.
- Free to eligible NYU community members.
- March 1, 2022
- Non-commercial, for academic & research purposes only.