1.8k citations · 6.6k across the 53 of their papers we have counts for
5 papers · 1 filter
Computational Investigation of Half-Heusler Compounds for Spintronics Applications
Jianhua Ma, Vinay I. Hegde, Kamaram Munira +6
We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 half-Heusler compounds (with …
Prediction of superconducting iron-bismuth intermetallic compounds at high pressure
Maximilian Amsler, S. Shahab Naghavi, Chris Wolverton
The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures…
Lithium transport through Lithium-ion battery cathode coatings
Shenzhen Xu, Ryan M. Jacobs, Ha M. Nguyen +4
The surface coating of cathodes using insulator films has proven to be a promising method for high-voltage cathode stabilization in Li-ion batteries. However, there is still substa…
A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials
Logan Ward, Ankit Agrawal, Alok Choudhary +1
A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior example…
Ultralow Thermal Conductivity in Full-Heusler Semiconductors
Jiangang He, Maximilian Amsler, Yi Xia +6
Semiconducting half- and, to a lesser extent, full-Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors.…