Browsing NTNU Open by Author "Jones, R. O."
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Density functional and classical simulations of liquid and glassy selenium
Kalikka, Janne; Akola, J.; Jones, R. O.; Schober, H.R. (Peer reviewed; Journal article, 2020)Molecular dynamics simulations of liquid and glassy selenium have been carried out using density functional (400–773 K, 600 atoms) and classical force field (290–500 K, 5488 atoms) methods. Structural features (structure ...