Configurational density of states in zeolite frameworks: a Monte Carlo approach

1992 ◽  
Vol 194 (1-2) ◽  
pp. 79-83 ◽  
Author(s):  
Carlos P. Herrero ◽  
Rafael Ramirez
2009 ◽  
Vol 8 (3-4) ◽  
pp. 324-335 ◽  
Author(s):  
Damien Querlioz ◽  
Huu-Nha Nguyen ◽  
Jérôme Saint-Martin ◽  
Arnaud Bournel ◽  
Sylvie Galdin-Retailleau ◽  
...  

Author(s):  
Janusz Wozny ◽  
Andrii Kovalchuk ◽  
Zbigniew Lisik ◽  
Jacek Podgorski ◽  
Piotr Bugalski ◽  
...  

AbstractWe carry out Monte Carlo simulations of electron transport in 4H-silicon carbide (4H-SiC) based on the numerically calculated density of states (DOS) to obtain the electron mobility at low electric fields. From the results, it can be concluded that a correct calculation of the DOS requires a very dense wavevector k-mesh when low electron kinetic energies are considered. The crucial issue is the numerical efficiency of the DOS calculation. We investigate the scaling efficiency when different numbers of cores are used.


2020 ◽  
Vol 219 ◽  
pp. 116945
Author(s):  
Vasilis Pagonis ◽  
Sebastian Kreutzer ◽  
Alex Roy Duncan ◽  
Ena Rajovic ◽  
Christian Laag ◽  
...  

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