Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Mariia Karabin"'
Publikováno v:
Machine Learning: Science and Technology, Vol 5, Iss 2, p 025015 (2024)
In this study, we show the transferability of graph convolutional neural network (GCNN) predictions of the formation energy of the nickel-platinum solid solution alloy across atomic structures of increasing sizes. The original dataset was generated w
Externí odkaz:
https://doaj.org/article/de9263242f884da285a0926f80d5d6b0
Autor:
Mariia Karabin, Wasim Raja Mondal, Andreas Östlin, Wai-Ga D. Ho, Vladimir Dobrosavljevic, Ka-Ming Tam, Hanna Terletska, Liviu Chioncel, Yang Wang, Markus Eisenbach
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e78d0ac84fd7a1f30b8d47b43ac60a73
https://opus.bibliothek.uni-augsburg.de/opus4/frontdoor/index/index/docId/95777
https://opus.bibliothek.uni-augsburg.de/opus4/frontdoor/index/index/docId/95777
Publikováno v:
Communications in Computer and Information Science ISBN: 9783031236051
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d8c3ee6fb6cf2d5f9ffbc2a39d0494b
https://doi.org/10.1007/978-3-031-23606-8_5
https://doi.org/10.1007/978-3-031-23606-8_5
Autor:
Danny Perez, Mariia Karabin
Publikováno v:
The Journal of Chemical Physics. 153:094110
Machine learning-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 forms, t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0db596538404aa016dff5fc0bc364a0c
https://doi.org/10.1063/5.0013059
https://doi.org/10.1063/5.0013059