The primary goal of the fourth industrial fluid properties simulation challenge was to test the
transferability of molecular simulation methods and intermolecular potentials (force fields)
when applied to a wide variety of physical properties for a given industrially relevant small
molecule. Force field parameters are often developed for, tested with, and applied to a
relatively limited range property types. Methods that are able to predict a broad range of
properties may be more useful for practical application in an industrial setting. To address …