2 citations · 2 across the 3 of their papers we have counts for
6 papers
Advanced modeling of materials with PAOFLOW 2.0: New features and software design
Frank T. Cerasoli, Andrew R. Supka, Anooja Jayaraj +7
Recent research in materials science opens exciting perspectives to design novel quantum materials and devices, but it calls for quantitative predictions of properties which are no…
First-Principles Study of Two-Dimensional Ferroelectrics Using Self-Consistent Hubbard Parameters
Jiawei Huang, Sang-Hoon Lee, Andrew Supka +2
The discovery of two-dimensional (2D) materials possessing switchable spontaneous polarization with atomic thickness opens up exciting opportunities to realize ultrathin, high-dens…
Coordination corrected ab initio formation enthalpies
Rico Friedrich, Demet Usanmaz, Corey Oses +5
The correct calculation of formation enthalpy is one of the enablers of ab-initio computational materials design. For several classes of systems (e.g. oxides) standard density func…
Giant spin Hall Effect in two-dimensional monochalcogenides
Jagoda Slawinska, Frank T. Cerasoli, Haihang Wang +5
One of the most exciting properties of two dimensional materials is their sensitivity to external tuning of the electronic properties, for example via electric field or strain. Rec…
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…
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…