Zobrazeno 1 - 10
of 49
pro vyhledávání: '"Bazhirov, Timur"'
Autor:
Dean, James, Scheffler, Matthias, Purcell, Thomas A. R., Barabash, Sergey V., Bhowmik, Rahul, Bazhirov, Timur
Fueled by the widespread adoption of Machine Learning (ML) and the high-throughput screening of materials, the data-centric approach to materials design has asserted itself as a robust and powerful tool for the in-silico prediction of materials prope
Externí odkaz:
http://arxiv.org/abs/2112.00239
Autor:
Zech, Alexander, Bazhirov, Timur
The advent of data-driven science in the 21st century brought about the need for well-organized structured data and associated infrastructure able to facilitate the applications of Artificial Intelligence and Machine Learning. We present an effort ai
Externí odkaz:
http://arxiv.org/abs/2109.13452
Autor:
Bazhirov, Timur
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 the data in a standard way to optimize the speed and creative breadth o
Externí odkaz:
http://arxiv.org/abs/1902.10838
Autor:
Mohammadi, Mohammad, Bazhirov, Timur
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 and hardware options, there is now a growing need to continuously evalu
Externí odkaz:
http://arxiv.org/abs/1812.05257
Autor:
Bazhirov, Timur, Abot, E. X.
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 based on the Density Functional Perturbation Theory to extract the pho
Externí odkaz:
http://arxiv.org/abs/1808.10011
Autor:
Das, Protik, Bazhirov, Timur
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. We deploy computational techniques based on the Density Functional T
Externí odkaz:
http://arxiv.org/abs/1808.05325
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 particular importance are limited ability to provide high fidelity in
Externí odkaz:
http://arxiv.org/abs/1807.05623
Autor:
Mohammadi, Mohammad, Bazhirov, Timur
We present a comparative analysis of the maximum performance achieved by the Linpack benchmark on compute intensive hardware publicly available from multiple cloud providers. We study both performance within a single compute node, and speedup for dis
Externí odkaz:
http://arxiv.org/abs/1702.02968
Publikováno v:
Phys. Rev. B 91, 020502(R) (2015)
We present first-principles calculations of the coupling of quasiparticles to spin fluctuations in iron selenide and discuss which types of superconducting instabilities this coupling gives rise to. We find that strong antiferromagnetic stripe-phase
Externí odkaz:
http://arxiv.org/abs/1501.02200
Publikováno v:
Phys. Rev. B 89, 081108(R) (2014)
We present first-principles calculations for quasiparticle excitations in sodium and lithium including the effects of charge and spin fluctuations. We employ the Overhauser-Kukkonen form for the electron self energy arising from spin fluctuations and
Externí odkaz:
http://arxiv.org/abs/1402.3561