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cond-mat.mtrl-sci2018
Electronic properties of binary compounds with high fidelity and high throughput
Protik Das, Timur Bazhirov
We present example applications of an approach to high-throughput first-principles calculations of the electronic properties of materials implemented within the Exabyte.io platform…
cond-mat.mtrl-sci2018
Accessible computational materials design with high fidelity and high throughput
Protik Das, Mohammad Mohammadi, Timur Bazhirov
Despite multiple successful applications of high-throughput computational materials design from first principles, there is a number of factors that inhibit its future adoption. Of…