491 citations · 3.4k across the 51 of their papers we have counts for
3 papers · 1 filter
High-Throughput Computational Screening of thermal conductivity, Debye temperature and Grüneisen parameter using a quasi-harmonic Debye Model
Cormac Toher, Jose J. Plata, Ohad Levy +4
The quasi-harmonic Debye approximation has been implemented within the AFLOW and Materials Project frameworks for high-throughput computational science (Automatic Gibbs Library, AG…
Reformulation of DFT+U as a pseudo-hybrid Hubbard density functional
Luis A. Agapito, Stefano Curtarolo, Marco Buongiorno Nardelli
The accurate prediction of the electronic properties of materials at a low computational expense is a necessary conditions for the development of effective high-throughput quantum-…
A RESTful API for exchanging Materials Data in the AFLOWLIB.org consortium
Richard H. Taylor, Frisco Rose, Cormac Toher +3
The continued advancement of science depends on shared and reproducible data. In the field of computational materials science and rational materials design this entails the constru…