The computation of new materials as 3D lattices poses a large computational effort. Here, a homogenization method based on the effective transition matrix is introduced for efficient analysis. A combination with quantum-chemical and Maxwell solvers allows us to efficiently compute the response of arbitrarily-shaped volumetric patchworks of structured molecular materials and metamaterials.
B. Zerulla, et al. A T‐Matrix Based Approach to Homogenize Artificial Materials. Advanced Optical Materials, 11, 2201564 (2023).