Zobrazeno 1 - 8
of 8
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
Autor:
Karabin, Mariia1 (AUTHOR) karabinm@ornl.gov, Mondal, Wasim Raja2 (AUTHOR), Östlin, Andreas3 (AUTHOR), Ho, Wai-Ga D.4 (AUTHOR), Dobrosavljevic, Vladimir4 (AUTHOR), Tam, Ka-Ming5 (AUTHOR), Terletska, Hanna2 (AUTHOR), Chioncel, Liviu3 (AUTHOR), Wang, Yang6 (AUTHOR), Eisenbach, Markus1 (AUTHOR) eisenbachm@ornl.gov
Publikováno v:
Journal of Materials Science. Jun2022, Vol. 57 Issue 23, p10677-10690. 14p. 1 Chart, 4 Graphs.
Autor:
Karabin, Mariia, Stuart, Steven J.
Publikováno v:
Journal of Chemical Physics; 9/21/2020, Vol. 153 Issue 11, p1-10, 10p
Autor:
Karabin, Mariia, Perez, Danny
Publikováno v:
Journal of Chemical Physics; 9/7/2020, Vol. 153 Issue 9, p1-8, 8p
This book constitutes the refereed proceedings of the 22nd Smoky Mountains Computational Sciences and Engineering Conference on Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Mode