If you are doing research into designing advanced transistors with new geometry or new materials (which is what I did my graduate research in), you would be using something like DFT (Density functional theory) for equilibrium analysis and NEGF, Huckel theory etc. for simulating current. These methods only realistically work on ~500-1000 atom systems, beyond which the simulation takes too long to run even on supercomputers (which is what i was using). I think GPUs here would be very useful, but there weren't any tools at the time that were seriously optimized for GPU. The codes I was using were SIESTA/TransSIESTA, Atomistix, QuantumEspresso and others.
For simulating multiple transistors, or transistors with a large geometry (for example 14nm gate length), you would use TCAD simulators that use FEM + measured parameters to simulate the transistors. The equations behind these are traditional semiconductor equations with a bunch of heuristics and curve fitting. The main tool I used was Sentaurus TCAD.
For simulating larger circuits, say a low-noise amplifier or maybe a small DAC, you would use tools like Cadence Virtuoso + the provided PDK from your foundry. The equations here are simpler than the ones used in Sentaurus and they are also calibrated to measurement.
In particular, I had never heard of DFT ... really intesting and first time I am exposed to what feels like real "hands-on" QM (as opposed to the very stripped down systems one learns about in introductory QM textbooks).
However, I don't feel that you need to have an analytical solution to the Schrödinger equation. In fact even in chemistry we don't do analytical solutions instead using fancy basis sets which allow us to do approximations.
Regardless, I don't think even that is particularly necessary, as quantum at that level means you basically have some level of leakage where the electrons can just tunnel through the barrier created by the transistor when off. So if I had to guess most of it is just ways to rectify this leakage so it doesn't effect calculations, probably similar to a form of error correcting.
(This ignores that you may have to do some initial quantum calculations using Density Functional Theorem to get a guess at how much leakage based off the materials you are using, though if I had to guess most of that work was done a while ago.)
And ... if the answer is, as I suspect, a lot, what kind of numerical methods and processes are used to design and simulate these tiny quantum mechanical machines?
[EDIT] I mean, when taking a basic QM course, there is a lot of contorsions to try and find analytical solutions to the Schrödinger equation, but as soon as you have three particle interacting with each other, analytical methods run into a wall.
Am I right to think that sub-10nm process design is all done numerically?
Anyone who happens to work on this type of problems care to give pointers?