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TribChem: A Software for the First-Principles, High-Throughput Study of Solid Interfaces and Their Tribological Properties

[Image: see text] High-throughput first-principles calculations, based on solving the quantum mechanical many-body problem for hundreds of materials in parallel, have been successfully applied to advance many materials-based technologies, from batteries to hydrogen storage. However, this approach ha...

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Detalles Bibliográficos
Autores principales: Losi, Gabriele, Chehaimi, Omar, Righi, M. Clelia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413857/
https://www.ncbi.nlm.nih.gov/pubmed/37402165
http://dx.doi.org/10.1021/acs.jctc.3c00459