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pro vyhledávání: '"Karabin, Mariia"'
Autor:
Ho, Wai-Ga D., Mondal, Wasim Raja, Terletska, Hanna, Tam, Ka-Ming, Karabin, Mariia, Eisenbach, Markus, Wang, Yang, Dobrosavljevic, Vladimir
High entropy alloys present a new class of disordered metals which hold promising prospects for the next generation of materials and technology. However, much of the basic physics underlying these robust, multifunctional materials -- and those of oth
Externí odkaz:
http://arxiv.org/abs/2311.14463
The investigation of finite temperature properties using Monte-Carlo (MC) methods requires a large number of evaluations of the system's Hamiltonian to sample the phase space needed to obtain physical observables as function of temperature. DFT calcu
Externí odkaz:
http://arxiv.org/abs/2207.10144
Autor:
Karabin, Mariia, Mondal, Wasim, Ostlin, Andreas, Ho, Wai-Ga D., Dobrosavljevic, Vladimir, Tam, Ka-Ming, Terletska, Hanna, Chioncel, Liviu, Wang, Yang, Eisenbach, Markus
We present a comparative study of different modeling approaches to the electronic properties of the $\textrm{Hf}_{0.05}\textrm{Nb}_{0.05}\textrm{Ta}_{0.8}\textrm{Ti}_{0.05}\textrm{Zr}_{0.05}$ high entropy alloy. Common to our modeling is the methodol
Externí odkaz:
http://arxiv.org/abs/2203.16498
Autor:
Karabin, Mariia, Perez, Danny
Machine learning (ML)-based interatomic potentials are currently garnering a lot of attention as they strive to achieve the accuracy of electronic structure methods at the computational cost of empirical potentials. Given their generic functional for
Externí odkaz:
http://arxiv.org/abs/2002.07876
Autor:
Karabin, Mariia, Stuart, Steven J.
As one of the most robust global optimization methods, simulated annealing has received considerable attention, with many variations that attempt to improve the cooling schedule. This paper introduces a variant of simulated annealing that is useful f
Externí odkaz:
http://arxiv.org/abs/2002.06124
Akademický článek
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Autor:
Karabin M; Department of Chemistry, Clemson University, Clemson, South Carolina 29634, USA., Perez D; Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2020 Sep 07; Vol. 153 (9), pp. 094110.
