Lataa...

Accurate thermal conductivities from optimally short molecular dynamics simulations

The evaluation of transport coefficients in extended systems, such as thermal conductivity or shear viscosity, is known to require impractically long simulations, thus calling for a paradigm shift that would allow to deploy state-of-the-art quantum simulation methods. We introduce a new method to co...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Julkaisussa:Sci Rep
Päätekijät: Ercole, Loris, Marcolongo, Aris, Baroni, Stefano
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Nature Publishing Group UK 2017
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC5696481/
https://ncbi.nlm.nih.gov/pubmed/29158529
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-15843-2
Tagit: Lisää tagi
Ei tageja, Lisää ensimmäinen tagi!