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MINFF: A Family of Classical Force Fields for Minerals with Tunable Angle Terms

Holmboe, Michael et al.
arXiv (All) · Papers
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materials-science
Atomistic simulations of minerals are limited by the accuracy and transferability of the force field. We introduce MINFF, a force field family for layered and non-layered oxides and hydroxides of M being Si, Al, Fe, Mg, Ca, Ti, Li and F. MINFF has no M-O bond terms. Instead M-O distances follow from
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