Molecular simulation studies can be used to understand the kerogen wettability for a wide range of chemical position of kerogen. In a previous work, molecular dynamics simulation was used to quantify wettability of kerogen. However, simplified kerogen structures were used which does not capture the heterogeneity and complexity of the kerogen structure. Moreover, there have been no studies which consider the impact of functional groups such as carboxyl and hydroxyl groups, and the impact of temperature and pressure conditions on the wettability of kerogen. There has been no previous experimental study to reliably determine wettability of pure kerogen, because of the challenges associated with kerogen isolation and with determining wettability of powders.