FIREBALL is a local-orbital ab-initio tight binding implementation of molecular dynamics. The method allows for the simulation and calculation of very large supercells of thousands of atoms or very long MD simulations with ease.





Welcome! 


This page is under construction, but serves as the main repository for links for the FIREBALL ab-initio DFT code base and related projects.




Information and resources on the new FIREBALL Framework can be found here.


FIREBALL-TG details and information on this link.


Other resources.