A brand new advanced ReaxFF tutorial is now available: Learn how you can combine grand canonical monte carlo simulations with ReaxFF and, with just a little bit of PLAMS, calculate discharge voltage profiles.
The discussed systems and workflow are inspired by the original publication ReaxFF molecular dynamics simulations on Lithium sulfur batteries but the techniques can easily be applied to other materials of interest as well.
See also the recent tutorial on diffusion coefficients in Li ion batteries.
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