Rick, The quantum inferences, like frequency of inter-atomic vibrations, etc, are things that most people would not understand even if it was explained to them. I do not think too many people on this list know what you are talking about. Now, from the knowledge base that trickles down from the physical chemists we can all understand that one thing or two are or may be possible with certain "large" molecules. And the only connection to this and computers that I see right away is the calculations that go in support of chemistry and biology. I was involved in developing a code to do quasi-classical Monte-Carlo style calculations of certain (simple) reaction rates. There were billions of MD collisions simulated, and lots of CPU hours of electronic structure (quantum mech.) calculations to go behind it. All of this was running on thousands of cores powered by the Linux kernel... So, this type of work has been happening and will be happening for a long time to come. We are already there, as you probably know. There is a large supercomputing accessibility project called Xsede. People and companies can submit proposals to request computer time to do things like what you said (all computational, of course). I encourage the geeks among us to look it up. It is not tech-oriented in the "iphone" "app" and "IoT" way, but rather the old-school stuff Rick is talking about.