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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…
Combining the AFLOW GIBBS and Elastic Libraries for efficiently and robustly screening thermo-mechanical properties of solids
Cormac Toher, Corey Oses, Jose J. Plata +8
Thorough characterization of the thermo-mechanical properties of materials requires difficult and time-consuming experiments. This severely limits the availability of data and it i…
Universal Fragment Descriptors for Predicting Electronic Properties of Inorganic Crystals
Olexandr Isayev, Corey Oses, Cormac Toher +3
Historically, materials discovery has been driven by a laborious trial-and-error process. The growth of materials databases and emerging informatics approaches finally offer the op…
High throughput thermal conductivity of high temperature solid phases: The case of oxide and fluoride perovskites
Ambroise van Roekeghem, Jesús Carrete, Corey Oses +2
Using finite-temperature phonon calculations and machine-learning methods, we calculate the mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovsk…
A computational high-throughput search for new ternary superalloys
Chandramouli Nyshadham, Corey Oses, Jacob E. Hansen +3
In 2006, a novel cobalt-based superalloy was discovered [1] with mechanical properties better than some conventional nickel-based superalloys. As with conventional superalloys, its…