ADF

Software Summary

Mesabi

Default Module: 

2017.108

Other Modules Available: 

2016.103, 2017.108, 2017.108_cuda, 2017.108_ompi

Last Updated On: 

Tuesday, September 26, 2017

Itasca

Default Module: 

2017.108

Other Modules Available: 

2016.103, 2017.108, 2017.108_cuda, 2017.108_ompi

Last Updated On: 

Tuesday, September 26, 2017

Lab

Default Module: 

2017.108

Other Versions Available: 

2016.103, 2017.108, 2017.108_cuda, 2017.108_ompi

Last Updated On: 

Tuesday, September 26, 2017

Web App

Default Version: 
Other Versions Available: 
Last Updated On: 
Last Updated On: 

Tuesday, September 26, 2017

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

The molecular ADF program can be applied to gas phase molecules, solvated molecules, and molecules in protein environments. It can treat all elements of the periodic table, and contains state-of-the-art relativistic methods (ZORA and spin-orbit coupling) to treat heavy nuclei.

Software Documentation

Software Documentation Tabs