Systematic Design-of-Experiments, factorial-design approaches for tuning simple empirical water models
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DOI: 10.1080/08927022.2019.1626987
Abstract: ABSTRACT Using systematic Design-of-Experiments, factorial-design approaches, we identify how five variables (site charge, sigma, epsilon, OH bond length and HOH bond angle) affect the diffusivity and radial distribution function accuracy within the framework of the… read more here.
Keywords: design approaches; experiments factorial; factorial design; design experiments ... See more keywords