Browsing Institutt for kjemi by Journals "SoftwareX"
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Mie–FH: A quantum corrected pair potential in the LAMMPS simulation package for hydrogen mixtures
(Journal article; Peer reviewed, 2024)Several knowledge gaps on the properties and behavior of hydrogen must be closed to realize its widespread use as a clean fuel and reduction agent. A challenge in this regard is that hydrogen and its mixtures are influenced ...