Molecular dynamics simulations have become an essential tool for studying the atomic or molecular behaviour of different substances. Calculating the interactions between particles takes up the biggest part of the simulation. In this thesis, we explore the optimisation  of force calculations for pair- and triwise potentials through lookup tables in AutoPas and evaluate them with respect to computational speed and accuracy.
For pairwise interaction simulations, we use the Lennard-Jones potential and demonstrate that postponing the beginning of the one-dimensional table to a fixed point reaps benefits compared to a naive table implementation. We then evaluate the triangular-shaped three-dimensional table for triwise potentials using Axilrod-Teller-Muto and extended Axilrod-Teller-Muto for Krypton. In the case of the more complex extended Axilrod-Teller-Muto for Krypton, we are able to show that the three-body lookup table is able to outperform the control variant in terms of computational speed.