Hello everyone,
As a young researcher, I have encountered a challenge recently. Specifically, I am delving into the parameterization of a reactive type potential known as ReaxFF for the first time, and I would appreciate your insights. My concern revolves around the process of determining the parameters that will form our potential, especially when working with a training set that includes values determined by DFT and, if necessary, experimental data. What should be our starting point in the parameterization process?
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