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09/28/2021
CateCom: a practical data-centric approach to categorization of computational models
The advent of data-driven science in the 21st century brought about the ...
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02/27/2019
Data-centric online ecosystem for digital materials science
Materials science is becoming increasingly more reliant on digital data ...
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12/13/2018
Continuous evaluation of the performance of cloud infrastructure for scientific applications
Cloud computing recently developed into a viable alternative to on-premi...
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08/29/2018
Fast and accessible first-principles calculations of vibrational properties of materials
We present example applications of an approach to first-principles calcu...
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08/16/2018
Electronic properties of binary compounds with high fidelity and high throughput
We present example applications of an approach to high-throughput first-...
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07/15/2018
Accessible computational materials design with high fidelity and high throughput
Despite multiple successful applications of high-throughput computationa...
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02/09/2017