Analysis of Ionicity-Magnetism Competition in 2D-MX3 Halides towards a Low-Dimensional Materials Study Based on GPU-Enabled Computational Systems

The acceleration of parallel high-throughput first-principle calculations in the context of 3D (three dimensional) periodic boundary conditions for low-dimensional systems, and particularly 2D materials, is an important issue for new material design. Where the scalability rapidly deflated due to the...

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Detalles Bibliográficos
Autores principales: Kartsev, Alexey, Malkovsky, Sergey, Chibisov, Andrey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8623668/
https://www.ncbi.nlm.nih.gov/pubmed/34835730
http://dx.doi.org/10.3390/nano11112967

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8623668/
https://www.ncbi.nlm.nih.gov/pubmed/34835730
http://dx.doi.org/10.3390/nano11112967

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