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Machine learning force field for thermal oxidation of silicon.
J Chem Phys. 2024 Oct 14;161(14):144706. doi: 10.1063/5.0220091.
J Chem Phys. 2024.
PMID: 39387410
Over- and Undercoordinated Atoms as a Source of Electron and Hole Traps in Amorphous Silicon Nitride (a-Si3N4).
Wilhelmer C, Waldhoer D, Cvitkovich L, Milardovich D, Waltl M, Grasser T.
Wilhelmer C, et al. Among authors: cvitkovich l.
Nanomaterials (Basel). 2023 Aug 9;13(16):2286. doi: 10.3390/nano13162286.
Nanomaterials (Basel). 2023.
PMID: 37630870
Free PMC article.
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Machine learning interatomic potential for silicon-nitride (Si3N4) by active learning.
Milardovich D, Wilhelmer C, Waldhoer D, Cvitkovich L, Sivaraman G, Grasser T.
Milardovich D, et al. Among authors: cvitkovich l.
J Chem Phys. 2023 May 21;158(19):194802. doi: 10.1063/5.0146753.
J Chem Phys. 2023.
PMID: 37184017
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