QSPEC-D is an open-source, GUI-based software package currently being developed by our team, with Amiya Paul serving as the lead software developer. It is designed to enable experimentalists to directly leverage our quantum algorithms to interpret a broad range of excitonic and polaronic spectroscopic and transport signatures in large, disordered 1D and 2D π-conjugated architectures, such as semiconducting polymers and covalent organic frameworks. Stay tuned for more of Amiya’s magic!

A proof-of-concept demonstration of QSPEC-D is shown above, where insights into the nature of defects obtained from scanning tunneling microscopy can be used to construct the corresponding model system through QSPEC-D’s GUI. Users can then generate mid-IR signatures and analyze the corresponding coherence of polarons as a function of defect type, density, spatial arrangement, and degree of disorder.

QSPEC-D is still in its very early stages and will take some time before an official release, but we are truly excited about this development!