  The Green's function method is recognized to be a very powerful tool for
modelling quantum transport in nanoscale electronic devices. As atomistic
calculations are generally expensive, numerical methods and related algorithms
have been developed accordingly to optimize their computation cost. In
particular, recursive techniques have been efficiently applied within the
Green's function calculation approach. Recently, with the discovery of Moir\'e
materials, several attractive superlattices have been explored using these
recursive Green's function techniques. However, numerical difficulty issues
were reported as most of these superlattices have relatively large supercells,
and consequently a huge number of atoms to be considered. In this article,
improvements to solve these issues are proposed in order to keep optimizing the
recursive Green's function calculations. These improvements make the electronic
structure calculations feasible and efficient in modelling large
superlattice-based devices. As an illustrative example, twisted bilayer
graphene superlattices are computed and presented to demonstrate the efficiency
of the method.
