15 citations · 23 across the 3 of their papers we have counts for
5 papers · 1 filter
The temperature-dependence of carrier mobility is not a reliable indicator of the dominant scattering mechanism
Alex M. Ganose, Junsoo Park, Anubhav Jain
The temperature dependence of experimental charge carrier mobility is commonly used as a predictor of the dominant carrier scattering mechanism in semiconductors, particularly in t…
Learned Force Fields Are Ready For Ground State Catalyst Discovery
Michael Schaarschmidt, Morgane Riviere, Alex M. Ganose +6
We present evidence that learned density functional theory (``DFT'') force fields are ready for ground state catalyst discovery. Our key finding is that relaxation using forces fro…
Efficient calculation of carrier scattering rates from first principles
Alex M. Ganose, Junsoo Park, Alireza Faghaninia +3
The electronic transport behaviour of materials determines their suitability for technological applications. We develop an efficient method for calculating carrier scattering rates…
Benchmarking Materials Property Prediction Methods: The Matbench Test Set and Automatminer Reference Algorithm
Alexander Dunn, Qi Wang, Alex Ganose +2
We present a benchmark test suite and an automated machine learning procedure for evaluating supervised machine learning (ML) models for predicting properties of inorganic bulk mat…
High Thermoelectric Performance and Defect Energetics of Multi-pocketed Full-Heusler Compounds
Junsoo Park, Yi Xia, Alex Ganose +2
We report first-principles density-functional study of electron-phonon interactions and thermoelectric transport properties of full-Heusler compounds SrBiAu and SrSbAu.…