Abstract: Embodiments of the present disclosure generally relate to methods and apparatus for enhanced oil recovery. In an embodiment, a method of enhanced oil recovery from a reservoir is provided. The method includes determining a three-dimensional molecular association between simulated oil and a simulated surface using molecular dynamics, and selecting a reservoir additive from a plurality of additives. The method further includes introducing the reservoir additive to the reservoir, and recovering oil from the reservoir using the reservoir additive. Methods of testing a candidate chemical or candidate formulation for use in enhanced oil recovery, and methods of determining an effect of a candidate chemical or formulation of candidate chemicals for use in enhanced oil recovery are also described. Oil extraction apparatus are also provided.