CPU	central processing unit
DFT	density functional theory
DFTB	density functional tight binding
DOS	density of states
GGA	generalized gradient approximation
HOMO	highest occupied molecular orbital
LUMO	lowest unoccupied molecular orbital
MD	molecular dynamics
MOF	metal-organic framework
OLED	organic light-emitting diode
OSC	organic solar cell
PANI	polyaniline
PLED	perovskite light-emitting diode
PSC	perovskite solar cell
TCNE	tetracyanoethylene
TD	time-dependent
UV-VIS	ultraviolet and visible
vdW	van der Waals
XRD	X-ray diffraction