[mkhorton]

Yes, this is almost exclusively a computational resource, with the exception of experimental data contributed by third parties. Most of our compute comes from the lovely people at NERSC[0].

All our predictions are benchmarked against experimental data wherever possible, but it's always a balancing act between things that can be calculated reliably and at scale, and the latest-and-greatest methods which give the most accurate predictions.

[0] https://www.nersc.gov