A description based on classical mechanics, of the potential energy surface of the nano and sub-nano clusters of these metals provides us with a computationally cheaper alternative pathway for long timescale calculations of the cluster dynamics or carry out an exhaustive search of the structure/compositional space of these transition metal nano clusters. They face challenges because they trade in the accuracy of calculations for computational efficiency. The pre defined functional forms of the popular force field models used in classical molecular dynamics routinely fail in capturing the structure dynamics of the sub nanometer clusters with 10 to 100 atoms in its structure, even though they provide excellent results for the bulk properties of the same elements . The use of predefined functional form imposes serious limitations on the physics and chemistry that can be captured. This is because of the complexity of the potential energy surface (PES) can only be captured accurately by a very extensive set of basis functions and the popular empirical force-field models often use only a sub-set of this complete basis set. This causes the current physical models to be very accurate in some region on the PES but fail in others since the model does not account for the basis functions that describe the physics of that region. This becomes increasingly evident when we go to the nanoscale potential energy surface where the higher surface to volume ratio and the presence of dangling bonds and enhanced complexity in structural arrangements. Modeling such low-dimensional systems calls for a more diverse and complete basis set in the classical models so that the physical properties can be captured accurately.