312 citations · 823 across the 10 of their papers we have counts for
8 papers · 1 filter
AFLUX: The LUX materials search API for the AFLOW data repositories
Frisco Rose, Cormac Toher, Eric Gossett +4
Automated computational materials science frameworks rapidly generate large quantities of materials data useful for accelerated materials design. We have extended the data oriented…
Predicting the lattice thermal conductivity of solids by solving the Boltzmann transport equation: AFLOW - AAPL an automated, accurate and effcient framework
Jose J. Plata, Demet Usanmaz, Pinku Nath +7
One of the most accurate approaches for calculating lattice thermal conductivity, , is solving the Boltzmann transport equation starting from third-order anharmonic force cons…
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…
High Throughput combinatorial method for fast and robust prediction of lattice thermal conductivity
P. Nath, J. J. Plata, D. Usanmaz +4
The lack of computationally inexpensive and accurate ab-initio based methodologies to predict lattice thermal conductivity, without computing the anharmonic force constants or time…
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…