Enhancements    

FLO-SIC: EFFICIENT DENSITY FUNCTIONAL THEORY CALCULATIONS WITHOUT SELF-INTERACTION

FLO-SIC: EFFICIENT DENSITY FUNCTIONAL THEORY CALCULATIONS WITHOUT SELF-INTERACTION
PI: Tunna Baruah
Co-PI: Rajendra Zope
Sponsor: US DEPARTMENT OF ENERGY THROUGH CENTRAL MICHIGAN UNIVERSITY
Physics
Amount awarded: $1,329,998

In collaboration with Central Michigan University, this project develops a software package to deliver highly accurate results of the Fermi-Lowdin-Orbital (FLO) Self-Interaction-Corrected (SIC) density functional theory package—methods that have revolutionized the ab-initio investigations of materials properties.

Posting date: Wed, 11/01/2017

Award start date: Fri, 09/01/2017
Award end date: Tue, 08/31/2021