Amalie L. Frischknecht

Dec 20, 2023 | pubs.acs.org | Amalie L. Frischknecht |Mark Stevens

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Dec 20, 2023 | dx.doi.org | Amalie L. Frischknecht |Mark Stevens

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Aug 24, 2023 | dx.doi.org | Karen I. Winey |Amalie L. Frischknecht |Max S. Win

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Aug 18, 2023 | pubs.acs.org | Daniel Vigil |Mark Stevens |Amalie L. Frischknecht

We perform all-atom molecular dynamics simulations of lithium triflate in 1,2-dimethoxyethane using six different literature force fields. This system is representative of many experimental studies of lithium salts in solvents and polymers. We show that multiple historically common force fields for lithium ions give qualitatively incorrect results when compared with those from experiments and quantum chemistry calculations.