  Two-dimensional (2D) materials that exhibit charge density waves (CDWs) have
generated many research endeavors in the hopes of employing their exotic
properties for various quantum-based technologies. Early investigations
surrounding CDWs were mostly focused on bulk materials. However, applications
for quantum devices have since required devices to be constructed from
few-layer material to fully utilize the material's properties. This field has
greatly expanded over the decades, warranting a focus on the computational
efforts surrounding CDWs in 2D materials. In this review, we will cover ground
in the following relevant, theory-driven subtopics for TaS2 and TaSe2: summary
of general computational techniques and methods, atomic structures, Raman
modes, and effects of confinement and dimensionality. Through understanding how
the computational methods have enabled incredible advancements in quantum
materials, one may anticipate the ever-expanding directions available for
continued pursuit as the field brings us through the 21st century.
