Morphology of lithium halides in tetrahydrofuran from molecular dynamics with machine learning potentials
Résumé
Using machine-learning potentials with ab initio accuracy, molecular dynamics simulations predict a diversity of structures for lithium halogen salts dissolved in tetrahydrofuran – from more compact LiCl, to more dispersed LiI.
Domaines
ChimieOrigine | Publication financée par une institution |
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Licence |