I don't pretend to be an up-to-date scientist. I've mentioned how proud I was doing some transformation of co-ordinates calculations (I learned in analytic mechanics physics) to draw a somewhat 3D representation of the alpha-helix and beta-sheet poly-peptide structures. More accurate were electro-optic coefficients calculated by dividing mean dipole by root-mean-square moment. How I pulled that off on an Epson QX10 Z80 computer and printer I don't know. But when I handed it out Otto was excited, "Who did this?" I said to an impressive group that I did. But real images were already being made, just not doing the electro optic stuff. Now-a-days I have several very advanced free Linux graphics programs for large molecules I don't know how to use, an OpenGL screensaver using protein data-bank files that invites lots more uses, and a lot of that stuff came from the U of MN. Major league stuff, and I've even seen some of it includes some peptide "circuit" analysis. We've come a long way. Today I got some energy Minnesota legislator staffer wanting a big story about biomass, biochar, climate, etc. We even have the UN on our Minnesota butts for using fossil fuels not to freeze to death. More wars won't "Make America Great Again." Science matters. Iznogoud wrote: > 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. > > _______________________________________________ > TCLUG Mailing List - Minneapolis/St. Paul, Minnesota > tclug-list at mn-linux.org > http://mailman.mn-linux.org/mailman/listinfo/tclug-list >