312 citations · 654 across the 6 of their papers we have counts for
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Addressing the lattice stability puzzle in the computational determination of intermetallic phase diagrams
Shmuel Barzilai, Cormac Toher, Stefano Curtarolo +1
The evaluation of phase stabilities of unstable elemental phases is a long-standing problem in the computational assessment of phase diagrams. Here we tackle this problem by explic…
Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases
Eric Perim, Dongwoo Lee, Yanhui Liu +8
Metallic glasses have attracted considerable interest in recent years due to their unique combination of superb properties and processability. Predicting bulk metallic glass former…
The AFLOW Library of Crystallographic Prototypes
Michael J. Mehl, David Hicks, Cormac Toher +4
An easily available resource of common crystal structures is essential for researchers, teachers, and students. For many years this was provided by the U.S. Naval Research Laborato…
Thermodynamic properties of titanium from ab-initio calculations
Uri Argaman, Eitan Eidelstein, Ohad Levy +1
The lattice parameters, lattice stability and phonon dispersion curves of five proposed phases of Ti: alpha, beta, gamma, delta and omega are investigated within DFT. It is found t…
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…
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…