Seeking guidence/collaboration elucidating possible structures from some of my old unpublished compounds

Hi, I am a synthetic inorganic chemist with a rather poor education in the area of modelling etc. I was part of the team that created the world’s first III-V synthetic nanostructures, and my doctoral work was exploring the details of the first reaction that made GaAs nanocrystals and then expanding the approach to all III-V combinations. I also cofounded on of the first nanotech startups.
I am posting on this forum in hopes that someone might be interested in helping me explore possible structures for some of the more interesting materials we synthesized in the Wells group at Duke decades ago. We were unable to form crystals of these materials so characterization was primarily limited to only elemental analysis. It seems to me that some modern modeling methods might give us some idea of the structure for these fascinating single-source precursors to Q-dots.
I am shamefully ignorant with regards to the tools I find on this site and hope there is someone out there in this community that might have a complimentary skill set and a common interest in fascinating materials that might be applicable to the next generation of nanostructured devices.
Thanks in advance for any suggestions/assistance.