316 citations · 582 across the 9 of their papers we have counts for
3 papers · 1 filter
The AFLOW Fleet for Materials Discovery
Cormac Toher, Corey Oses, David Hicks +48
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With the intent to accelerate the development and the d…
Improved electronic structure and magnetic exchange interactions in transition metal oxides
Priya Gopal, Riccardo De Gennaro, Marta S. Gusmao +5
We discuss the application of the Agapito Curtarolo and Buongiorno Nardelli (ACBN0) pseudo-hybrid Hubbard density functional to several transition metal oxides. ACBN0 is a fast, ac…
AFLOW: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
A. R. Supka, T. E. Lyons, L. Liyanage +10
Tight-binding models provide a conceptually transparent and computationally efficient method to represent the electronic properties of materials. With AFLOW we introduce a frame…