Репозиторий научных и учебно-методических публикаций
Северо-Кавказский федеральный университет
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https://dspace.ncfu.ru/handle/20.500.12258/15831| Title: | Modeling the adsorption process on graphic processors |
| Authors: | Vinokursky, D. L. Винокурский, Д. Л. Kononova, N. V. Кононова, Н. В. Shelestov, N. E. Шелестов, Н. Е. |
| Keywords: | Computing on graphics processing units;Density functional theory;Adsorption;Decision making |
| Issue Date: | 2021 |
| Publisher: | CEUR-WS |
| Citation: | Vinokursky, D., Kononova, N., Agakhanova, Y., Miroshnichenko, D., Shelestov, N. Modeling the adsorption process on graphic processors // CEUR Workshop Proceedings. - 2021. - Volume 2843 |
| Series/Report no.: | CEUR Workshop Proceedings |
| Abstract: | This paper briefly describes the technology of non-specialized computing on GPUs and the theory of density functional. The Quantum ESPRESSO software package was used to simulate the adsorption of an aluminum atom by the C60 fullerene. It is shown that the binding energy of aluminum and fullerene atoms depends on the aluminum atom position. The density of states is calculated for each case |
| URI: | http://hdl.handle.net/20.500.12258/15831 |
| Appears in Collections: | Статьи, проиндексированные в SCOPUS, WOS |
Files in This Item:
| File | Size | Format | |
|---|---|---|---|
| scopusresults 1624 .pdf Restricted Access | 63.22 kB | Adobe PDF | View/Open |
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