62 citations · 69 across the 3 of their papers we have counts for
6 papers
Data-centric online ecosystem for digital materials science
Timur Bazhirov
Materials science is becoming increasingly more reliant on digital data to facilitate progress in the field. Due to a large diversity in its scope, breadth, and depth, organizing t…
Continuous evaluation of the performance of cloud infrastructure for scientific applications
Mohammad Mohammadi, Timur Bazhirov
Cloud computing recently developed into a viable alternative to on-premises systems for executing high-performance computing (HPC) applications. With the emergence of new vendors a…
Fast and accessible first-principles calculations of vibrational properties of materials
Timur Bazhirov, E. X. Abot
We present example applications of an approach to first-principles calculations of vibrational properties of materials implemented within the Exabyte.io platform. We deploy models…
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…
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…
Effects of charge doping and constrained magnetization on the electronic structure of an FeSe monolayer
Timur Bazhirov, Marvin L. Cohen
The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and s…