The growing interest in plasmonic nanoparticles and their increasingly diverse
applications is fuelled by the ability to tune properties via shape control, promoting
intense experimental and theoretical research. Such shapes are dominated by geometries
that can be described by the kinetic Wulff construction such as octahedra, thin
triangular platelets, bipyramids, and decahedra, to name a few. Shape is critical in
dictating the optical properties of these nanoparticles, in particular their localized
surface plasmon resonance behavior, which can be modeled numerically. One challenge of
the various available computational techniques is the representation of the nanoparticle
shape. Specifically, in the discrete dipole approximation, a particle is represented by
discretizing space via an array of uniformly distributed points-dipoles; this can be
difficult to construct for complex shapes including those with multiple crystallographic
facets, twins, and core–shell particles. Here, we describe a standalone
user-friendly graphical user interface (GUI) that uses both kinetic and thermodynamic
Wulff constructions to generate a dipole array for complex shapes, as well as the
necessary input files for DDSCAT-based numerical approaches. Examples of the use of this
GUI are described through three case studies spanning different shapes, compositions,
and shell thicknesses. Key advances offered by this approach, in addition to simplicity,
are the ability to create crystallographically correct structures and the addition of a
conformal shell on complex shapes.